(Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile

C17H13N3S — CID 135976063

IUPAC(Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile
SMILESN#C/C(=C/c1c[nH]c2ccccc12)c1nc(C2CC2)cs1
InChIInChI=1S/C17H13N3S/c18-8-12(17-20-16(10-21-17)11-5-6-11)7-13-9-19-15-4-2-1-3-14(13)15/h1-4,7,9-11,19H,5-6H2/b12-7-
InChIKeyAIQWAGRJRVTPHQ-GHXNOFRVSA-N
MW291.38 g/mol
LogP4.57
Rot. Bonds3

About (Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile

(Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile (PubChem CID 135976063) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is (Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile
PubChem CID135976063
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name(Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile
SMILESN#C/C(=C/c1c[nH]c2ccccc12)c1nc(C2CC2)cs1
InChIInChI=1S/C17H13N3S/c18-8-12(17-20-16(10-21-17)11-5-6-11)7-13-9-19-15-4-2-1-3-14(13)15/h1-4,7,9-11,19H,5-6H2/b12-7-
InChIKeyAIQWAGRJRVTPHQ-GHXNOFRVSA-N
XLogP4.57
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(furan-3-yl)prop-2-enenitrile
CID 3120750
2-(2-chlorophenyl)-3-(1H-indol-3-yl)prop-2-enenitrile
CID 3893073
3-(1H-indol-3-yl)-2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]prop-2-enenitrile
CID 3843004
(E)-3-(1H-indol-3-yl)-2-(4-methylphenyl)prop-2-enenitrile
CID 21374759
[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1,3-thiazol-2-yl]-(1H-indol-3-yl)methanone
CID 156515811
4-[2-(1H-indole-3-carbonyl)-1,3-thiazol-4-yl]piperidine-1-carboxylic acid
CID 166758790
3-(2-iodophenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 3824630
(Z)-2-(1,3-benzothiazol-2-ylsulfanyl)-3-(1H-indol-3-yl)prop-2-enenitrile
CID 1243315
3-(1-benzothiophen-3-yl)-2-(4-methyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 126805931
3-phenyl-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile
CID 2837945
(Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
CID 23476689
2-[4-(4-cyclohexylphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenyl)prop-2-enenitrile
CID 3120946

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile (CID 135976063) is (Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile is N#C/C(=C/c1c[nH]c2ccccc12)c1nc(C2CC2)cs1.
What is the InChIKey of (Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile?
The InChIKey is AIQWAGRJRVTPHQ-GHXNOFRVSA-N. The full InChI is InChI=1S/C17H13N3S/c18-8-12(17-20-16(10-21-17)11-5-6-11)7-13-9-19-15-4-2-1-3-14(13)15/h1-4,7,9-11,19H,5-6H2/b12-7-.
What are the key properties of (Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile?
(Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile has a molecular weight of 291.38 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-cyclopropyl-1,3-thiazol-2-yl)-3-(1H-indol-3-yl)prop-2-enenitrile is sourced from PubChem (CID 135976063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).