3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine

C119H152N14OS4 — CID 158159385

IUPAC3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine
SMILESCC(C)N1CCN(c2ccccc2)CC1.CC(C)N1CCN(c2ccccn2)CC1.CC(C)N1CCOCC1.CC(C)n1cc(Sc2ccccc2)c2ccccc21.CC(C)n1ccc2ccccc21.Cc1ccc2c(c1)c(Sc1ccccc1)cn2C(C)C.Cc1ccc2c(ccn2C(C)C)c1.[C-]#[N+]CCSc1cn(C(C)C)c2ccc(C)cc12.[C-]#[N+]CCSc1cn(C(C)C)c2ccccc12
InChIInChI=1S/C18H19NS.C17H17NS.C15H18N2S.C14H16N2S.C13H20N2.C12H19N3.C12H15N.C11H13N.C7H15NO/c1-13(2)19-12-18(20-15-7-5-4-6-8-15)16-11-14(3)9-10-17(16)19;1-13(2)18-12-17(15-10-6-7-11-16(15)18)19-14-8-4-3-5-9-14;1-11(2)17-10-15(18-8-7-16-4)13-9-12(3)5-6-14(13)17;1-11(2)16-10-14(17-9-8-15-3)12-6-4-5-7-13(12)16;1-12(2)14-8-10-15(11-9-14)13-6-4-3-5-7-13;1-11(2)14-7-9-15(10-8-14)12-5-3-4-6-13-12;1-9(2)13-7-6-11-8-10(3)4-5-12(11)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)8-3-5-9-6-4-8/h4-13H,1-3H3;3-13H,1-2H3;5-6,9-11H,7-8H2,1-3H3;4-7,10-11H,8-9H2,1-2H3;3-7,12H,8-11H2,1-2H3;3-6,11H,7-10H2,1-2H3;4-9H,1-3H3;3-9H,1-2H3;7H,3-6H2,1-2H3
InChIKeyFWBWKHMKOHYGKV-UHFFFAOYSA-N
MW1922.89 g/mol
LogP31.14
Rot. Bonds21

About 3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine

3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine (PubChem CID 158159385) has the molecular formula C119H152N14OS4 and a molecular weight of 1922.89 g/mol. Its IUPAC name is 3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine
PubChem CID158159385
Molecular FormulaC119H152N14OS4
Molecular Weight1922.89 g/mol
Exact Mass1921.12
IUPAC Name3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine
SMILESCC(C)N1CCN(c2ccccc2)CC1.CC(C)N1CCN(c2ccccn2)CC1.CC(C)N1CCOCC1.CC(C)n1cc(Sc2ccccc2)c2ccccc21.CC(C)n1ccc2ccccc21.Cc1ccc2c(c1)c(Sc1ccccc1)cn2C(C)C.Cc1ccc2c(ccn2C(C)C)c1.[C-]#[N+]CCSc1cn(C(C)C)c2ccc(C)cc12.[C-]#[N+]CCSc1cn(C(C)C)c2ccccc12
InChIInChI=1S/C18H19NS.C17H17NS.C15H18N2S.C14H16N2S.C13H20N2.C12H19N3.C12H15N.C11H13N.C7H15NO/c1-13(2)19-12-18(20-15-7-5-4-6-8-15)16-11-14(3)9-10-17(16)19;1-13(2)18-12-17(15-10-6-7-11-16(15)18)19-14-8-4-3-5-9-14;1-11(2)17-10-15(18-8-7-16-4)13-9-12(3)5-6-14(13)17;1-11(2)16-10-14(17-9-8-15-3)12-6-4-5-7-13(12)16;1-12(2)14-8-10-15(11-9-14)13-6-4-3-5-7-13;1-11(2)14-7-9-15(10-8-14)12-5-3-4-6-13-12;1-9(2)13-7-6-11-8-10(3)4-5-12(11)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)8-3-5-9-6-4-8/h4-13H,1-3H3;3-13H,1-2H3;5-6,9-11H,7-8H2,1-3H3;4-7,10-11H,8-9H2,1-2H3;3-7,12H,8-11H2,1-2H3;3-6,11H,7-10H2,1-2H3;4-9H,1-3H3;3-9H,1-2H3;7H,3-6H2,1-2H3
InChIKeyFWBWKHMKOHYGKV-UHFFFAOYSA-N
XLogP31.14
TPSA76.62 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001922.89
LogP ≤ 531.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-[(E)-3-[5-[3-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]-3-pyridinyl]prop-2-enylidene]-3-methylidenethieno[3,2-b]pyridine
CID 117749599
4-[4-[6-[4-[6-[3-[9-([1]Benzothiolo[3,2-b]pyridin-8-yl)carbazol-2-yl]carbazol-9-yl]-4-phenyl-2-pyridinyl]phenyl]-2-[9-(4,6-diphenyl-2-pyridinyl)carbazol-3-yl]carbazol-9-yl]phenyl]-[1]benzothiolo[3,2-b]pyridine
CID 129253601
9-[4-Dibenzothiophen-4-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[3,4-b]indol-9-yl)-3-pyridinyl]pyrido[3,4-b]indole
CID 149647717
5-[4-Dibenzothiophen-4-yl-2-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-3-pyridinyl]pyrido[4,3-b]indole
CID 152214448
5-[4-Dibenzothiophen-4-yl-3-(3,6-diphenylcarbazol-9-yl)-5,6-bis(pyrido[4,3-b]indol-5-yl)-2-pyridinyl]pyrido[4,3-b]indole
CID 152494585
N-(1-benzothiophen-6-yl)-N,6-diphenylpyridin-3-amine;6-(5-phenyl-2-pyridinyl)thieno[3,2-c]carbazole;6-(4-pyridin-2-ylphenyl)thieno[3,2-c]carbazole;6-(4-pyridin-3-ylphenyl)thieno[3,2-c]carbazole;6-(5-pyridin-3-yl-2-pyridinyl)thieno[3,2-c]carbazole;6-(5-pyridin-4-yl-2-pyridinyl)thieno[3,2-c]carbazole
CID 157217344
4-[3-[3-(3-Carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-b]pyridine;1-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]pyridine;4-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]pyridine;6-[3-[3-(3-carbazol-9-ylcarbazol-9-yl)phenyl]phenyl]-[1]benzothiolo[3,2-c]pyridine;3-carbazol-9-yl-9-[6-(3-dibenzothiophen-4-ylphenyl)-2-pyridinyl]carbazole;3-carbazol-9-yl-9-[3-(5-dibenzothiophen-4-yl-3-pyridinyl)phenyl]carbazole;3-carbazol-9-yl-9-[3-(6-dibenzothiophen-4-yl-2-pyridinyl)phenyl]carbazole
CID 157290684
9-(5-Cyclohexa-1,5-dien-1-yl-2-pyridinyl)thieno[2,3-b]carbazole;9-(4-pyridin-2-ylphenyl)thieno[2,3-b]carbazole;9-(4-pyridin-3-ylphenyl)thieno[2,3-b]carbazole;9-(5-pyridin-3-yl-2-pyridinyl)thieno[2,3-b]carbazole
CID 157295598
5-[2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)cyclopenten-1-yl]-N,N-dimethylpyrimidin-2-amine;2,8-dimethyl-5-[2-(4-methylphenyl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(3-methylthiophen-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[2-(4-methylthiophen-2-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-(2-phenylcyclopenten-1-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 157575937
5-Chloro-3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-chloro-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;methane;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine
CID 157669009
2-ethyl-5-phenyl-1,3-thiazole;2-(3H-inden-1-yl)-4-(1H-indol-3-yl)-1,3-thiazole;2-(3H-inden-1-yl)-4-pyridin-3-yl-1,3-thiazole;2-(3H-inden-1-yl)-4-pyridin-4-yl-1,3-thiazole;methane;4-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]morpholine;4-(4-naphthalen-1-yl-1,3-thiazol-2-yl)morpholine;4-(5-phenylthiophen-3-yl)morpholine
CID 157875080
2-[5-[6-[6-[5-(4,4-dimethyl-5H-1,3-thiazol-2-yl)-3-pyridinyl]-9-phenylcarbazol-3-yl]-9-phenylcarbazol-3-yl]-3-pyridinyl]-4,4-dimethyl-5H-1,3-thiazole;9-phenyl-3-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]carbazol-3-yl]-6-[6-(4,4,5,5-tetramethyl-1-phenylimidazol-2-yl)-3-pyridinyl]carbazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[5-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-3-pyridinyl]-1,3-thiazole;4,4,5,5-tetramethyl-2-[5-[9-phenyl-6-[9-phenyl-6-[6-(4,4,5,5-tetramethyl-1,3-thiazol-2-yl)-3-pyridinyl]carbazol-3-yl]carbazol-3-yl]-2-pyridinyl]-1,3-thiazole
CID 158102901

Frequently Asked Questions

What is the IUPAC name of 3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine?
The IUPAC name of 3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine (CID 158159385) is 3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine?
The canonical SMILES for 3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine is CC(C)N1CCN(c2ccccc2)CC1.CC(C)N1CCN(c2ccccn2)CC1.CC(C)N1CCOCC1.CC(C)n1cc(Sc2ccccc2)c2ccccc21.CC(C)n1ccc2ccccc21.Cc1ccc2c(c1)c(Sc1ccccc1)cn2C(C)C.Cc1ccc2c(ccn2C(C)C)c1.[C-]#[N+]CCSc1cn(C(C)C)c2ccc(C)cc12.[C-]#[N+]CCSc1cn(C(C)C)c2ccccc12.
What is the InChIKey of 3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine?
The InChIKey is FWBWKHMKOHYGKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NS.C17H17NS.C15H18N2S.C14H16N2S.C13H20N2.C12H19N3.C12H15N.C11H13N.C7H15NO/c1-13(2)19-12-18(20-15-7-5-4-6-8-15)16-11-14(3)9-10-17(16)19;1-13(2)18-12-17(15-10-6-7-11-16(15)18)19-14-8-4-3-5-9-14;1-11(2)17-10-15(18-8-7-16-4)13-9-12(3)5-6-14(13)17;1-11(2)16-10-14(17-9-8-15-3)12-6-4-5-7-13(12)16;1-12(2)14-8-10-15(11-9-14)13-6-4-3-5-7-13;1-11(2)14-7-9-15(10-8-14)12-5-3-4-6-13-12;1-9(2)13-7-6-11-8-10(3)4-5-12(11)13;1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-7(2)8-3-5-9-6-4-8/h4-13H,1-3H3;3-13H,1-2H3;5-6,9-11H,7-8H2,1-3H3;4-7,10-11H,8-9H2,1-2H3;3-7,12H,8-11H2,1-2H3;3-6,11H,7-10H2,1-2H3;4-9H,1-3H3;3-9H,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine?
3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine has a molecular weight of 1922.89 g/mol, XLogP of 31.14, 21 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-isocyanoethylsulfanyl)-5-methyl-1-propan-2-ylindole;3-(2-isocyanoethylsulfanyl)-1-propan-2-ylindole;5-methyl-3-phenylsulfanyl-1-propan-2-ylindole;5-methyl-1-propan-2-ylindole;1-phenyl-4-propan-2-ylpiperazine;3-phenylsulfanyl-1-propan-2-ylindole;1-propan-2-ylindole;4-propan-2-ylmorpholine;1-propan-2-yl-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 158159385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).