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;4-(1H-indol-3-yl)-2-thiophen-2-yl-1,3-thiazole;4-naphthalen-1-yl-2-piperidin-1-yl-1,3-thiazole;1-(5-phenylthiophen-3-yl)piperidine;2-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline

C116H94N14S8 — CID 159476133

IUPAC2-(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;4-(1H-indol-3-yl)-2-thiophen-2-yl-1,3-thiazole;4-naphthalen-1-yl-2-piperidin-1-yl-1,3-thiazole;1-(5-phenylthiophen-3-yl)piperidine;2-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline
SMILESC1=C(c2nc(-c3c[nH]c4ccccc34)cs2)c2ccccc2C1.C1=C(c2nc(-c3cccnc3)cs2)c2ccccc2C1.C1=C(c2nc(-c3ccncc3)cs2)c2ccccc2C1.Nc1ccccc1-c1nc(-c2cccnc2)cs1.c1ccc(-c2cc(N3CCCCC3)cs2)cc1.c1ccc2c(-c3csc(N4CCCCC4)n3)cccc2c1.c1csc(-c2nc(-c3c[nH]c4ccccc34)cs2)c1
InChIInChI=1S/C20H14N2S.C18H18N2S.2C17H12N2S.C15H10N2S2.C15H17NS.C14H11N3S/c1-2-6-14-13(5-1)9-10-16(14)20-22-19(12-23-20)17-11-21-18-8-4-3-7-15(17)18;1-4-11-20(12-5-1)18-19-17(13-21-18)16-10-6-8-14-7-2-3-9-15(14)16;1-2-6-14-12(4-1)7-8-15(14)17-19-16(11-20-17)13-5-3-9-18-10-13;1-2-4-14-12(3-1)5-6-15(14)17-19-16(11-20-17)13-7-9-18-10-8-13;1-2-5-12-10(4-1)11(8-16-12)13-9-19-15(17-13)14-6-3-7-18-14;1-3-7-13(8-4-1)15-11-14(12-17-15)16-9-5-2-6-10-16;15-12-6-2-1-5-11(12)14-17-13(9-18-14)10-4-3-7-16-8-10/h1-8,10-12,21H,9H2;2-3,6-10,13H,1,4-5,11-12H2;1-6,8-11H,7H2;1-4,6-11H,5H2;1-9,16H;1,3-4,7-8,11-12H,2,5-6,9-10H2;1-9H,15H2
InChIKeyLWKCWIPZYQFPMJ-UHFFFAOYSA-N
MW1940.66 g/mol
LogP31.50
Rot. Bonds14

About 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;4-(1H-indol-3-yl)-2-thiophen-2-yl-1,3-thiazole;4-naphthalen-1-yl-2-piperidin-1-yl-1,3-thiazole;1-(5-phenylthiophen-3-yl)piperidine;2-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline

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;4-(1H-indol-3-yl)-2-thiophen-2-yl-1,3-thiazole;4-naphthalen-1-yl-2-piperidin-1-yl-1,3-thiazole;1-(5-phenylthiophen-3-yl)piperidine;2-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline (PubChem CID 159476133) has the molecular formula C116H94N14S8 and a molecular weight of 1940.66 g/mol. Its IUPAC name is 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;4-(1H-indol-3-yl)-2-thiophen-2-yl-1,3-thiazole;4-naphthalen-1-yl-2-piperidin-1-yl-1,3-thiazole;1-(5-phenylthiophen-3-yl)piperidine;2-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound Name2-(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;4-(1H-indol-3-yl)-2-thiophen-2-yl-1,3-thiazole;4-naphthalen-1-yl-2-piperidin-1-yl-1,3-thiazole;1-(5-phenylthiophen-3-yl)piperidine;2-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline
PubChem CID159476133
Molecular FormulaC116H94N14S8
Molecular Weight1940.66 g/mol
Exact Mass1938.56
IUPAC Name2-(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;4-(1H-indol-3-yl)-2-thiophen-2-yl-1,3-thiazole;4-naphthalen-1-yl-2-piperidin-1-yl-1,3-thiazole;1-(5-phenylthiophen-3-yl)piperidine;2-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline
SMILESC1=C(c2nc(-c3c[nH]c4ccccc34)cs2)c2ccccc2C1.C1=C(c2nc(-c3cccnc3)cs2)c2ccccc2C1.C1=C(c2nc(-c3ccncc3)cs2)c2ccccc2C1.Nc1ccccc1-c1nc(-c2cccnc2)cs1.c1ccc(-c2cc(N3CCCCC3)cs2)cc1.c1ccc2c(-c3csc(N4CCCCC4)n3)cccc2c1.c1csc(-c2nc(-c3c[nH]c4ccccc34)cs2)c1
InChIInChI=1S/C20H14N2S.C18H18N2S.2C17H12N2S.C15H10N2S2.C15H17NS.C14H11N3S/c1-2-6-14-13(5-1)9-10-16(14)20-22-19(12-23-20)17-11-21-18-8-4-3-7-15(17)18;1-4-11-20(12-5-1)18-19-17(13-21-18)16-10-6-8-14-7-2-3-9-15(14)16;1-2-6-14-12(4-1)7-8-15(14)17-19-16(11-20-17)13-5-3-9-18-10-13;1-2-4-14-12(3-1)5-6-15(14)17-19-16(11-20-17)13-7-9-18-10-8-13;1-2-5-12-10(4-1)11(8-16-12)13-9-19-15(17-13)14-6-3-7-18-14;1-3-7-13(8-4-1)15-11-14(12-17-15)16-9-5-2-6-10-16;15-12-6-2-1-5-11(12)14-17-13(9-18-14)10-4-3-7-16-8-10/h1-8,10-12,21H,9H2;2-3,6-10,13H,1,4-5,11-12H2;1-6,8-11H,7H2;1-4,6-11H,5H2;1-9,16H;1,3-4,7-8,11-12H,2,5-6,9-10H2;1-9H,15H2
InChIKeyLWKCWIPZYQFPMJ-UHFFFAOYSA-N
XLogP31.50
TPSA180.09 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001940.66
LogP ≤ 531.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 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;4-(1H-indol-3-yl)-2-thiophen-2-yl-1,3-thiazole;4-naphthalen-1-yl-2-piperidin-1-yl-1,3-thiazole;1-(5-phenylthiophen-3-yl)piperidine;2-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline with MolForge

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Related Compounds

2-[1-(4-Tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-[4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazol-2-yl]thieno[3,2-d]pyrimidin-3-ium
CID 157110986
2-[1-(4-Tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole
CID 160970041
2-[3-([1,3]Thiazolo[5,4-b]pyridin-2-yl)-5-[2,4,5-tris[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]phenyl]-[1,3]thiazolo[4,5-b]pyrazine
CID 59866418
2-[6-(1,3-benzothiazol-2-yl)-5-imidazo[1,5-a]pyridin-6-yl-2-(2H-isoindol-1-yl)-3-(1,5-naphthyridin-2-yl)-4-(1,7-naphthyridin-2-yl)-1H-indol-7-yl]-1,3-benzothiazole
CID 141399443
2-[4-[5-[10-[2-[4-([1,3]Thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-5-yl]anthracen-9-yl]pyrimidin-2-yl]-2-pyridinyl]-7-[4-[5-[4-[5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-2-yl]phenyl]pyrimidin-2-yl]-6-[7-[6-([1,3]thiazolo[5,4-b]pyridin-2-yl)-4-[5-[4-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridine
CID 148272986
2-[3-[5-[4-[2-[4-[7-[6-([1,3]Thiazolo[5,4-b]pyridin-2-yl)-4-[5-[10-[5-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]pyrimidin-2-yl]anthracen-9-yl]pyrimidin-2-yl]-2-pyridinyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-2-yl]phenyl]-7-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)-5-[2-[4-[2-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)-2-pyridinyl]pyrimidin-5-yl]phenyl]pyrimidin-5-yl]phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 149230678
2-[2-[2,3,5,6-Tetrakis(pyrido[3,4-b]indol-9-yl)-4-pyridinyl]phenyl]-1,3-benzothiazole
CID 150074736
(E)-2,3-bis[4-[4-[6-(1H-benzo[cd]indol-2-ylideneamino)-3-pyridinyl]-N-[4-(1,3-thiazol-2-yl)phenyl]anilino]phenyl]but-2-enedinitrile
CID 156260775
(E)-2,3-bis[4-[4-[6-(1H-benzo[cd]indol-2-ylideneamino)-3-pyridinyl]-N-[4-(1,3-thiazol-2-yl)phenyl]anilino]phenyl]-3-isocyanoprop-2-enenitrile
CID 156673440
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]thiazolo[4,5-b]pyridine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-b]pyridine;N,N-diphenyl-9-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)phenyl]carbazol-3-amine;2-(4-pyrido[2,3-b]indol-9-ylphenyl)-[1,3]thiazolo[4,5-b]pyridine;2-(5-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine
CID 157065179
2-[4-(3,6-diphenylcarbazol-9-yl)phenyl]-[1,3]thiazolo[4,5-c]pyridine;2-[5-(3,6-diphenylcarbazol-9-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine;N,N-diphenyl-9-[4-([1,3]thiazolo[4,5-c]pyridin-2-yl)phenyl]carbazol-3-amine;2-(4-pyrido[2,3-b]indol-9-ylphenyl)-[1,3]thiazolo[4,5-c]pyridine;2-(5-pyrido[2,3-b]indol-9-yl-2-pyridinyl)-[1,3]thiazolo[4,5-c]pyridine
CID 157068872
9,23-Bis(4,6-diphenyl-1,3,5-triazin-2-yl)-5,9,19,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene;9-[4-(5-phenylthiophen-2-yl)phenyl]-23-[4-(5-phenylthiophen-3-yl)phenyl]-5,9,19,23-tetrazaoctacyclo[13.13.2.02,10.03,8.012,29.016,24.017,22.026,30]triaconta-1(29),2(10),3(8),4,6,11,13,15(30),16(24),17(22),18,20,25,27-tetradecaene
CID 157073478

Frequently Asked Questions

What is the IUPAC name of 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;4-(1H-indol-3-yl)-2-thiophen-2-yl-1,3-thiazole;4-naphthalen-1-yl-2-piperidin-1-yl-1,3-thiazole;1-(5-phenylthiophen-3-yl)piperidine;2-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline?
The IUPAC name of 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;4-(1H-indol-3-yl)-2-thiophen-2-yl-1,3-thiazole;4-naphthalen-1-yl-2-piperidin-1-yl-1,3-thiazole;1-(5-phenylthiophen-3-yl)piperidine;2-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline (CID 159476133) is 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;4-(1H-indol-3-yl)-2-thiophen-2-yl-1,3-thiazole;4-naphthalen-1-yl-2-piperidin-1-yl-1,3-thiazole;1-(5-phenylthiophen-3-yl)piperidine;2-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline.
What is the SMILES notation for 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;4-(1H-indol-3-yl)-2-thiophen-2-yl-1,3-thiazole;4-naphthalen-1-yl-2-piperidin-1-yl-1,3-thiazole;1-(5-phenylthiophen-3-yl)piperidine;2-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline?
The canonical SMILES for 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;4-(1H-indol-3-yl)-2-thiophen-2-yl-1,3-thiazole;4-naphthalen-1-yl-2-piperidin-1-yl-1,3-thiazole;1-(5-phenylthiophen-3-yl)piperidine;2-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline is C1=C(c2nc(-c3c[nH]c4ccccc34)cs2)c2ccccc2C1.C1=C(c2nc(-c3cccnc3)cs2)c2ccccc2C1.C1=C(c2nc(-c3ccncc3)cs2)c2ccccc2C1.Nc1ccccc1-c1nc(-c2cccnc2)cs1.c1ccc(-c2cc(N3CCCCC3)cs2)cc1.c1ccc2c(-c3csc(N4CCCCC4)n3)cccc2c1.c1csc(-c2nc(-c3c[nH]c4ccccc34)cs2)c1.
What is the InChIKey of 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;4-(1H-indol-3-yl)-2-thiophen-2-yl-1,3-thiazole;4-naphthalen-1-yl-2-piperidin-1-yl-1,3-thiazole;1-(5-phenylthiophen-3-yl)piperidine;2-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline?
The InChIKey is LWKCWIPZYQFPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2S.C18H18N2S.2C17H12N2S.C15H10N2S2.C15H17NS.C14H11N3S/c1-2-6-14-13(5-1)9-10-16(14)20-22-19(12-23-20)17-11-21-18-8-4-3-7-15(17)18;1-4-11-20(12-5-1)18-19-17(13-21-18)16-10-6-8-14-7-2-3-9-15(14)16;1-2-6-14-12(4-1)7-8-15(14)17-19-16(11-20-17)13-5-3-9-18-10-13;1-2-4-14-12(3-1)5-6-15(14)17-19-16(11-20-17)13-7-9-18-10-8-13;1-2-5-12-10(4-1)11(8-16-12)13-9-19-15(17-13)14-6-3-7-18-14;1-3-7-13(8-4-1)15-11-14(12-17-15)16-9-5-2-6-10-16;15-12-6-2-1-5-11(12)14-17-13(9-18-14)10-4-3-7-16-8-10/h1-8,10-12,21H,9H2;2-3,6-10,13H,1,4-5,11-12H2;1-6,8-11H,7H2;1-4,6-11H,5H2;1-9,16H;1,3-4,7-8,11-12H,2,5-6,9-10H2;1-9H,15H2.
What are the key properties of 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;4-(1H-indol-3-yl)-2-thiophen-2-yl-1,3-thiazole;4-naphthalen-1-yl-2-piperidin-1-yl-1,3-thiazole;1-(5-phenylthiophen-3-yl)piperidine;2-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline?
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;4-(1H-indol-3-yl)-2-thiophen-2-yl-1,3-thiazole;4-naphthalen-1-yl-2-piperidin-1-yl-1,3-thiazole;1-(5-phenylthiophen-3-yl)piperidine;2-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline has a molecular weight of 1940.66 g/mol, XLogP of 31.50, 14 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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;4-(1H-indol-3-yl)-2-thiophen-2-yl-1,3-thiazole;4-naphthalen-1-yl-2-piperidin-1-yl-1,3-thiazole;1-(5-phenylthiophen-3-yl)piperidine;2-(4-pyridin-3-yl-1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 159476133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).