2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide

C14H11N5O3S2 — CID 171055458

IUPAC2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2nc(C(N)=O)cs2)c2[nH]cc(C#N)c12
InChIInChI=1S/C14H11N5O3S2/c1-7-2-3-9(12-11(7)8(4-15)5-17-12)19-24(21,22)14-18-10(6-23-14)13(16)20/h2-3,5-6,17,19H,1H3,(H2,16,20)
InChIKeyBVWSEYKLNBMELL-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.70
Rot. Bonds4

About 2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide

2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide (PubChem CID 171055458) has the molecular formula C14H11N5O3S2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide
PubChem CID171055458
Molecular FormulaC14H11N5O3S2
Molecular Weight361.41 g/mol
Exact Mass361.03
IUPAC Name2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NS(=O)(=O)c2nc(C(N)=O)cs2)c2[nH]cc(C#N)c12
InChIInChI=1S/C14H11N5O3S2/c1-7-2-3-9(12-11(7)8(4-15)5-17-12)19-24(21,22)14-18-10(6-23-14)13(16)20/h2-3,5-6,17,19H,1H3,(H2,16,20)
InChIKeyBVWSEYKLNBMELL-UHFFFAOYSA-N
XLogP1.70
TPSA141.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide (CID 171055458) is 2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide is Cc1ccc(NS(=O)(=O)c2nc(C(N)=O)cs2)c2[nH]cc(C#N)c12.
What is the InChIKey of 2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BVWSEYKLNBMELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3S2/c1-7-2-3-9(12-11(7)8(4-15)5-17-12)19-24(21,22)14-18-10(6-23-14)13(16)20/h2-3,5-6,17,19H,1H3,(H2,16,20).
What are the key properties of 2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide?
2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171055458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).