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

C19H21N5O2S2 — CID 172572416

IUPACN-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(C3CCCN(C)C3)s2)c2[nH]cc(C#N)c12
InChIInChI=1S/C19H21N5O2S2/c1-12-5-6-15(18-17(12)14(8-20)9-21-18)23-28(25,26)16-10-22-19(27-16)13-4-3-7-24(2)11-13/h5-6,9-10,13,21,23H,3-4,7,11H2,1-2H3
InChIKeyTWYUJGLNUMLFPO-UHFFFAOYSA-N
MW415.54 g/mol
LogP3.41
Rot. Bonds4

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

N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 172572416) has the molecular formula C19H21N5O2S2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonamide
PubChem CID172572416
Molecular FormulaC19H21N5O2S2
Molecular Weight415.54 g/mol
Exact Mass415.11
IUPAC NameN-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnc(C3CCCN(C)C3)s2)c2[nH]cc(C#N)c12
InChIInChI=1S/C19H21N5O2S2/c1-12-5-6-15(18-17(12)14(8-20)9-21-18)23-28(25,26)16-10-22-19(27-16)13-4-3-7-24(2)11-13/h5-6,9-10,13,21,23H,3-4,7,11H2,1-2H3
InChIKeyTWYUJGLNUMLFPO-UHFFFAOYSA-N
XLogP3.41
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonamide (CID 172572416) is N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnc(C3CCCN(C)C3)s2)c2[nH]cc(C#N)c12.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonamide?
The InChIKey is TWYUJGLNUMLFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S2/c1-12-5-6-15(18-17(12)14(8-20)9-21-18)23-28(25,26)16-10-22-19(27-16)13-4-3-7-24(2)11-13/h5-6,9-10,13,21,23H,3-4,7,11H2,1-2H3.
What are the key properties of N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonamide?
N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 415.54 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methyl-1H-indol-7-yl)-2-(1-methylpiperidin-3-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 172572416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).