2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide

C13H11N5O2S2 — CID 172572539

IUPAC2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(N)s2)c2[nH]cc(C#N)c12
InChIInChI=1S/C13H11N5O2S2/c1-7-2-3-9(12-11(7)8(4-14)5-16-12)18-22(19,20)10-6-17-13(15)21-10/h2-3,5-6,16,18H,1H3,(H2,15,17)
InChIKeyWJOJPMCLNVKHAA-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.19
Rot. Bonds3

About 2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide

2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 172572539) has the molecular formula C13H11N5O2S2 and a molecular weight of 333.40 g/mol. Its IUPAC name is 2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound Name2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
PubChem CID172572539
Molecular FormulaC13H11N5O2S2
Molecular Weight333.40 g/mol
Exact Mass333.04
IUPAC Name2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(N)s2)c2[nH]cc(C#N)c12
InChIInChI=1S/C13H11N5O2S2/c1-7-2-3-9(12-11(7)8(4-14)5-16-12)18-22(19,20)10-6-17-13(15)21-10/h2-3,5-6,16,18H,1H3,(H2,15,17)
InChIKeyWJOJPMCLNVKHAA-UHFFFAOYSA-N
XLogP2.19
TPSA124.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1,1-difluoroethyl)-1,3-thiazole-5-sulfonamide
CID 170949375
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(2-ethylsulfanylethoxy)-1,3-thiazole-5-sulfonamide
CID 177318952
N-(3-cyano-4-methyl-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
CID 171055436
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonamide
CID 172572416
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-morpholin-4-ylcyclobutyl)-1,3-thiazole-5-sulfonamide
CID 172572602
5-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1-(2,2-difluoroethyl)pyrazole-4-sulfonamide
CID 155193520
2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide
CID 171055458
N-(3-cyano-4-methyl-1H-indol-7-yl)-5-(4-methylpiperazine-1-carbonyl)-1,3-thiazole-2-sulfonamide
CID 170949383
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-[(Z)-1,2-diaminoethenyl]benzenesulfonamide
CID 174263047
N-(4-chloro-3-cyano-1H-indol-7-yl)-3-methyl-1,2-thiazole-5-sulfonamide
CID 177228426
N-(3-cyano-1H-indol-7-yl)-2-fluoro-1,3-thiazole-5-sulfonamide
CID 171055469
N-(3-cyano-4-methyl-1H-indol-7-yl)-4-phenoxybenzenesulfonamide
CID 155116684

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of 2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide (CID 172572539) is 2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for 2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for 2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnc(N)s2)c2[nH]cc(C#N)c12.
What is the InChIKey of 2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is WJOJPMCLNVKHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2S2/c1-7-2-3-9(12-11(7)8(4-14)5-16-12)18-22(19,20)10-6-17-13(15)21-10/h2-3,5-6,16,18H,1H3,(H2,15,17).
What are the key properties of 2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide?
2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 333.40 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-cyano-4-methyl-1H-indol-7-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 172572539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).