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

C14H12N4O2S2 — CID 170949666

IUPACN-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-4-sulfonamide
SMILESCCc1nc(S(=O)(=O)Nc2cccc3c(C#N)c[nH]c23)cs1
InChIInChI=1S/C14H12N4O2S2/c1-2-12-17-13(8-21-12)22(19,20)18-11-5-3-4-10-9(6-15)7-16-14(10)11/h3-5,7-8,16,18H,2H2,1H3
InChIKeyLJEFRHOAIYXJAH-UHFFFAOYSA-N
MW332.41 g/mol
LogP2.86
Rot. Bonds4

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

N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-4-sulfonamide (PubChem CID 170949666) has the molecular formula C14H12N4O2S2 and a molecular weight of 332.41 g/mol. Its IUPAC name is N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-4-sulfonamide
PubChem CID170949666
Molecular FormulaC14H12N4O2S2
Molecular Weight332.41 g/mol
Exact Mass332.04
IUPAC NameN-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-4-sulfonamide
SMILESCCc1nc(S(=O)(=O)Nc2cccc3c(C#N)c[nH]c23)cs1
InChIInChI=1S/C14H12N4O2S2/c1-2-12-17-13(8-21-12)22(19,20)18-11-5-3-4-10-9(6-15)7-16-14(10)11/h3-5,7-8,16,18H,2H2,1H3
InChIKeyLJEFRHOAIYXJAH-UHFFFAOYSA-N
XLogP2.86
TPSA98.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-5-sulfonamide
CID 171664629
N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-oxazole-5-sulfonamide
CID 170949429
N-(3-cyano-1H-indol-7-yl)-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 171055447
N-(3-cyano-1H-indol-7-yl)-1,2-oxazole-4-sulfonamide
CID 170949418
N-(3-cyano-1H-indol-7-yl)-2-fluoro-1,3-thiazole-5-sulfonamide
CID 171055469
methyl 2-[4-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-2-ethylimidazol-1-yl]acetate
CID 170949696
ethane;7-[[5-(hydroxymethyl)thiophen-3-yl]sulfanylamino]-1H-indole-3-carbonitrile
CID 177228457
7-methyl-1H-indole-3-carbonitrile
CID 34177049
7-[[2-(fluoromethyl)-1,3-thiazol-5-yl]sulfanylamino]-1H-indole-3-carbonitrile
CID 170949823
2-[(2-ethyl-1,3-thiazol-4-yl)methylamino]-6-methylbenzonitrile
CID 114003072
2-[(3-cyano-4-methyl-1H-indol-7-yl)sulfamoyl]-1,3-thiazole-4-carboxamide
CID 171055458
5-cyano-N-(3-cyano-5-methyl-1H-indol-7-yl)thiophene-2-sulfonamide
CID 172572471

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-4-sulfonamide?
The IUPAC name of N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-4-sulfonamide (CID 170949666) is N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-4-sulfonamide?
The canonical SMILES for N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-4-sulfonamide is CCc1nc(S(=O)(=O)Nc2cccc3c(C#N)c[nH]c23)cs1.
What is the InChIKey of N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-4-sulfonamide?
The InChIKey is LJEFRHOAIYXJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S2/c1-2-12-17-13(8-21-12)22(19,20)18-11-5-3-4-10-9(6-15)7-16-14(10)11/h3-5,7-8,16,18H,2H2,1H3.
What are the key properties of N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-4-sulfonamide?
N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-4-sulfonamide has a molecular weight of 332.41 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1H-indol-7-yl)-2-ethyl-1,3-thiazole-4-sulfonamide is sourced from PubChem (CID 170949666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).