N,5-di(propan-2-yl)-1,3-benzothiazol-7-amine;N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine

C99H142N10O4S3 — CID 159462607

IUPACN,5-di(propan-2-yl)-1,3-benzothiazol-7-amine;N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine
SMILESCC(C)Nc1cc(C(C)C)cc2c1CCCO2.CC(C)Nc1cc(C(C)C)cc2c1OCCC2.CC(C)Nc1cc(C(C)C)cc2c1OCCO2.CC(C)Nc1cc(C(C)C)cc2ccsc12.CC(C)Nc1cc(C(C)C)cc2nccnc12.CC(C)Nc1cc(C(C)C)cc2ncsc12.CC(C)Nc1cc(C(C)C)cc2sccc12
InChIInChI=1S/2C15H23NO.C14H19N3.C14H21NO2.2C14H19NS.C13H18N2S/c1-10(2)12-8-14(16-11(3)4)13-6-5-7-17-15(13)9-12;1-10(2)13-8-12-6-5-7-17-15(12)14(9-13)16-11(3)4;1-9(2)11-7-12-14(16-6-5-15-12)13(8-11)17-10(3)4;1-9(2)11-7-12(15-10(3)4)14-13(8-11)16-5-6-17-14;1-9(2)11-7-13(15-10(3)4)12-5-6-16-14(12)8-11;1-9(2)12-7-11-5-6-16-14(11)13(8-12)15-10(3)4;1-8(2)10-5-11-13(16-7-14-11)12(6-10)15-9(3)4/h2*8-11,16H,5-7H2,1-4H3;5-10,17H,1-4H3;7-10,15H,5-6H2,1-4H3;2*5-10,15H,1-4H3;5-9,15H,1-4H3
InChIKeyLUTXHYSPXHEBLG-UHFFFAOYSA-N
MW1632.49 g/mol
LogP28.82
Rot. Bonds21

About N,5-di(propan-2-yl)-1,3-benzothiazol-7-amine;N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine

N,5-di(propan-2-yl)-1,3-benzothiazol-7-amine;N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine (PubChem CID 159462607) has the molecular formula C99H142N10O4S3 and a molecular weight of 1632.49 g/mol. Its IUPAC name is N,5-di(propan-2-yl)-1,3-benzothiazol-7-amine;N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine.

Molecular Properties

Compound NameN,5-di(propan-2-yl)-1,3-benzothiazol-7-amine;N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine
PubChem CID159462607
Molecular FormulaC99H142N10O4S3
Molecular Weight1632.49 g/mol
Exact Mass1631.04
IUPAC NameN,5-di(propan-2-yl)-1,3-benzothiazol-7-amine;N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine
SMILESCC(C)Nc1cc(C(C)C)cc2c1CCCO2.CC(C)Nc1cc(C(C)C)cc2c1OCCC2.CC(C)Nc1cc(C(C)C)cc2c1OCCO2.CC(C)Nc1cc(C(C)C)cc2ccsc12.CC(C)Nc1cc(C(C)C)cc2nccnc12.CC(C)Nc1cc(C(C)C)cc2ncsc12.CC(C)Nc1cc(C(C)C)cc2sccc12
InChIInChI=1S/2C15H23NO.C14H19N3.C14H21NO2.2C14H19NS.C13H18N2S/c1-10(2)12-8-14(16-11(3)4)13-6-5-7-17-15(13)9-12;1-10(2)13-8-12-6-5-7-17-15(12)14(9-13)16-11(3)4;1-9(2)11-7-12-14(16-6-5-15-12)13(8-11)17-10(3)4;1-9(2)11-7-12(15-10(3)4)14-13(8-11)16-5-6-17-14;1-9(2)11-7-13(15-10(3)4)12-5-6-16-14(12)8-11;1-9(2)12-7-11-5-6-16-14(11)13(8-12)15-10(3)4;1-8(2)10-5-11-13(16-7-14-11)12(6-10)15-9(3)4/h2*8-11,16H,5-7H2,1-4H3;5-10,17H,1-4H3;7-10,15H,5-6H2,1-4H3;2*5-10,15H,1-4H3;5-9,15H,1-4H3
InChIKeyLUTXHYSPXHEBLG-UHFFFAOYSA-N
XLogP28.82
TPSA159.80 Ų
H-Bond Donors7
H-Bond Acceptors17
Rotatable Bonds21
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001632.49
LogP ≤ 528.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1017

Analyze N,5-di(propan-2-yl)-1,3-benzothiazol-7-amine;N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine 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

N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)cinnolin-5-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine
CID 158497834
1-N-methyl-4-N-(24-methyl-19,22-dioxa-15,26-diazahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16,18(23),24-undecaen-17-yl)benzene-1,4-diamine;1-N-methyl-4-N-(10-methyl-7,8-dithiophen-2-yl-2,3-dihydro-[1,4]dithiino[2,3-g]quinoxalin-5-yl)benzene-1,4-diamine;1-N-methyl-4-N-(10-methyl-2,3-dithiophen-2-ylpyrazino[2,3-g]quinoxalin-5-yl)benzene-1,4-diamine
CID 160119444
N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine
CID 160215670
N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;bis(N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine);N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine
CID 160954478
N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)quinazolin-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine
CID 161080929
N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine
CID 161172306
N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)quinazolin-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine
CID 161286404
1-N-methyl-4-N-(10-methyl-7,8-diphenyl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-5-yl)benzene-1,4-diamine;1-N-methyl-4-N-(10-methyl-7,8-diphenyl-2,3-dihydro-[1,4]dithiino[2,3-g]quinoxalin-5-yl)benzene-1,4-diamine;1-N-methyl-4-N-(10-methyl-2,3-diphenylpyrazino[2,3-g]quinoxalin-5-yl)benzene-1,4-diamine;1-N-methyl-4-N-(10-methyl-7,8-dithiophen-2-yl-2,3-dihydro-[1,4]dioxino[2,3-g]quinoxalin-5-yl)benzene-1,4-diamine
CID 161548942
N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)quinoxalin-5-amine;5-(2-methylpropyl)-7-propan-2-ylquinazoline
CID 162098220

Frequently Asked Questions

What is the IUPAC name of N,5-di(propan-2-yl)-1,3-benzothiazol-7-amine;N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine?
The IUPAC name of N,5-di(propan-2-yl)-1,3-benzothiazol-7-amine;N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine (CID 159462607) is N,5-di(propan-2-yl)-1,3-benzothiazol-7-amine;N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine.
What is the SMILES notation for N,5-di(propan-2-yl)-1,3-benzothiazol-7-amine;N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine?
The canonical SMILES for N,5-di(propan-2-yl)-1,3-benzothiazol-7-amine;N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine is CC(C)Nc1cc(C(C)C)cc2c1CCCO2.CC(C)Nc1cc(C(C)C)cc2c1OCCC2.CC(C)Nc1cc(C(C)C)cc2c1OCCO2.CC(C)Nc1cc(C(C)C)cc2ccsc12.CC(C)Nc1cc(C(C)C)cc2nccnc12.CC(C)Nc1cc(C(C)C)cc2ncsc12.CC(C)Nc1cc(C(C)C)cc2sccc12.
What is the InChIKey of N,5-di(propan-2-yl)-1,3-benzothiazol-7-amine;N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine?
The InChIKey is LUTXHYSPXHEBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H23NO.C14H19N3.C14H21NO2.2C14H19NS.C13H18N2S/c1-10(2)12-8-14(16-11(3)4)13-6-5-7-17-15(13)9-12;1-10(2)13-8-12-6-5-7-17-15(12)14(9-13)16-11(3)4;1-9(2)11-7-12-14(16-6-5-15-12)13(8-11)17-10(3)4;1-9(2)11-7-12(15-10(3)4)14-13(8-11)16-5-6-17-14;1-9(2)11-7-13(15-10(3)4)12-5-6-16-14(12)8-11;1-9(2)12-7-11-5-6-16-14(11)13(8-12)15-10(3)4;1-8(2)10-5-11-13(16-7-14-11)12(6-10)15-9(3)4/h2*8-11,16H,5-7H2,1-4H3;5-10,17H,1-4H3;7-10,15H,5-6H2,1-4H3;2*5-10,15H,1-4H3;5-9,15H,1-4H3.
What are the key properties of N,5-di(propan-2-yl)-1,3-benzothiazol-7-amine;N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine?
N,5-di(propan-2-yl)-1,3-benzothiazol-7-amine;N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine has a molecular weight of 1632.49 g/mol, XLogP of 28.82, 21 rotatable bonds, 7 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-di(propan-2-yl)-1,3-benzothiazol-7-amine;N,5-di(propan-2-yl)-1-benzothiophen-7-amine;N,6-di(propan-2-yl)-1-benzothiophen-4-amine;N,7-di(propan-2-yl)-2,3-dihydro-1,4-benzodioxin-5-amine;N,6-di(propan-2-yl)-3,4-dihydro-2H-chromen-8-amine;N,7-di(propan-2-yl)-3,4-dihydro-2H-chromen-5-amine;N,7-di(propan-2-yl)quinoxalin-5-amine is sourced from PubChem (CID 159462607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).