4-chloro-7-(1,3-oxazol-5-ylsulfanylamino)-1H-indole-3-carbonitrile

C12H7ClN4OS — CID 170949623

IUPAC4-chloro-7-(1,3-oxazol-5-ylsulfanylamino)-1H-indole-3-carbonitrile
SMILESN#Cc1c[nH]c2c(NSc3cnco3)ccc(Cl)c12
InChIInChI=1S/C12H7ClN4OS/c13-8-1-2-9(17-19-10-5-15-6-18-10)12-11(8)7(3-14)4-16-12/h1-2,4-6,16-17H
InChIKeyMIWJUCSNOPYUPX-UHFFFAOYSA-N
MW290.74 g/mol
LogP3.80
Rot. Bonds3

About 4-chloro-7-(1,3-oxazol-5-ylsulfanylamino)-1H-indole-3-carbonitrile

4-chloro-7-(1,3-oxazol-5-ylsulfanylamino)-1H-indole-3-carbonitrile (PubChem CID 170949623) has the molecular formula C12H7ClN4OS and a molecular weight of 290.74 g/mol. Its IUPAC name is 4-chloro-7-(1,3-oxazol-5-ylsulfanylamino)-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name4-chloro-7-(1,3-oxazol-5-ylsulfanylamino)-1H-indole-3-carbonitrile
PubChem CID170949623
Molecular FormulaC12H7ClN4OS
Molecular Weight290.74 g/mol
Exact Mass290.00
IUPAC Name4-chloro-7-(1,3-oxazol-5-ylsulfanylamino)-1H-indole-3-carbonitrile
SMILESN#Cc1c[nH]c2c(NSc3cnco3)ccc(Cl)c12
InChIInChI=1S/C12H7ClN4OS/c13-8-1-2-9(17-19-10-5-15-6-18-10)12-11(8)7(3-14)4-16-12/h1-2,4-6,16-17H
InChIKeyMIWJUCSNOPYUPX-UHFFFAOYSA-N
XLogP3.80
TPSA77.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-7-(1,3-thiazol-5-ylsulfanylamino)-1H-indole-4-carbonitrile
CID 170949538
3-chloro-7-(1,2-thiazol-4-ylsulfanylamino)-1H-indole-4-carbonitrile
CID 170949577
4-methyl-7-(1,2-thiazol-4-ylsulfanylamino)-1H-indole-3-carbonitrile
CID 170949637
7-[(4-cyanophenyl)sulfanylamino]-4-methyl-1H-indole-3-carbonitrile
CID 153329674
7-(1,2-thiazol-4-ylsulfanylamino)-4-(trifluoromethyl)-1H-indole-3-carbonitrile
CID 170949380
7-(1,3-thiazol-5-ylsulfanylamino)-4-(trifluoromethyl)-1H-indole-3-carbonitrile
CID 170949820
5-chloro-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
CID 155193649
7-[(5-bromo-1,3-thiazol-2-yl)sulfanylamino]-4-methyl-1H-indole-3-carbonitrile
CID 170949865
3,4-dichloro-N-[(2-cyclopropyl-1,3-oxazol-5-yl)sulfanyl]-1H-indol-7-amine
CID 170949399
7-[(4-ethylphenyl)sulfanylamino]-4-methyl-1H-indole-3-carbonitrile
CID 142616692
5-amino-N-(4-chloro-3-cyano-1H-indol-7-yl)-1-methylpyrazole-4-sulfonamide
CID 155193606
7-[(2-ethyl-1,3-thiazol-5-yl)sulfanylamino]-4-methyl-1H-indole-3-carbonitrile
CID 170949685

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-(1,3-oxazol-5-ylsulfanylamino)-1H-indole-3-carbonitrile?
The IUPAC name of 4-chloro-7-(1,3-oxazol-5-ylsulfanylamino)-1H-indole-3-carbonitrile (CID 170949623) is 4-chloro-7-(1,3-oxazol-5-ylsulfanylamino)-1H-indole-3-carbonitrile.
What is the SMILES notation for 4-chloro-7-(1,3-oxazol-5-ylsulfanylamino)-1H-indole-3-carbonitrile?
The canonical SMILES for 4-chloro-7-(1,3-oxazol-5-ylsulfanylamino)-1H-indole-3-carbonitrile is N#Cc1c[nH]c2c(NSc3cnco3)ccc(Cl)c12.
What is the InChIKey of 4-chloro-7-(1,3-oxazol-5-ylsulfanylamino)-1H-indole-3-carbonitrile?
The InChIKey is MIWJUCSNOPYUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN4OS/c13-8-1-2-9(17-19-10-5-15-6-18-10)12-11(8)7(3-14)4-16-12/h1-2,4-6,16-17H.
What are the key properties of 4-chloro-7-(1,3-oxazol-5-ylsulfanylamino)-1H-indole-3-carbonitrile?
4-chloro-7-(1,3-oxazol-5-ylsulfanylamino)-1H-indole-3-carbonitrile has a molecular weight of 290.74 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-(1,3-oxazol-5-ylsulfanylamino)-1H-indole-3-carbonitrile is sourced from PubChem (CID 170949623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).