(Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)prop-2-enamide

C17H14ClN3O2S — CID 47495529

IUPAC(Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C(C#N)=C\c2csc(C3CC3)n2)cc1Cl
InChIInChI=1S/C17H14ClN3O2S/c1-23-15-5-4-12(7-14(15)18)20-16(22)11(8-19)6-13-9-24-17(21-13)10-2-3-10/h4-7,9-10H,2-3H2,1H3,(H,20,22)/b11-6-
InChIKeyBUQDQSLITYFSAM-WDZFZDKYSA-N
MW359.84 g/mol
LogP4.23
Rot. Bonds5

About (Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)prop-2-enamide

(Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)prop-2-enamide (PubChem CID 47495529) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is (Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)prop-2-enamide
PubChem CID47495529
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name(Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)prop-2-enamide
SMILESCOc1ccc(NC(=O)/C(C#N)=C\c2csc(C3CC3)n2)cc1Cl
InChIInChI=1S/C17H14ClN3O2S/c1-23-15-5-4-12(7-14(15)18)20-16(22)11(8-19)6-13-9-24-17(21-13)10-2-3-10/h4-7,9-10H,2-3H2,1H3,(H,20,22)/b11-6-
InChIKeyBUQDQSLITYFSAM-WDZFZDKYSA-N
XLogP4.23
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)prop-2-enamide with MolForge

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Related Compounds

2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(2,5-dichlorophenyl)prop-2-enamide
CID 75268695
2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 47495609
(E)-3-(4-tert-butylphenyl)-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide
CID 18225943
(E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2,4-dimethylphenyl)prop-2-enamide
CID 7969813
(E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]prop-2-enamide
CID 9247359
1-[(Z)-3-(3-chloro-4-methoxyanilino)-2-cyano-3-oxoprop-1-enyl]piperidine-4-carboxylic acid
CID 108825787
3-(3-chloro-4-methoxyphenyl)-2-cyano-N-(3,5-dichlorophenyl)prop-2-enamide
CID 5057045
(Z)-3-(5-chloro-2-methoxyanilino)-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide
CID 108825775
(E)-3-(3-chloro-4-methoxyphenyl)-2-cyano-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 112979287
(Z)-3-(4-anilinoanilino)-N-(3-chloro-4-methoxyphenyl)-2-cyanoprop-2-enamide
CID 108825933
(E)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9334097
3-[[(Z)-3-(3-chloro-4-methoxyanilino)-2-cyano-3-oxoprop-1-enyl]amino]propanoic acid
CID 108825748

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)prop-2-enamide?
The IUPAC name of (Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)prop-2-enamide (CID 47495529) is (Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)prop-2-enamide?
The canonical SMILES for (Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)prop-2-enamide is COc1ccc(NC(=O)/C(C#N)=C\c2csc(C3CC3)n2)cc1Cl.
What is the InChIKey of (Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)prop-2-enamide?
The InChIKey is BUQDQSLITYFSAM-WDZFZDKYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-23-15-5-4-12(7-14(15)18)20-16(22)11(8-19)6-13-9-24-17(21-13)10-2-3-10/h4-7,9-10H,2-3H2,1H3,(H,20,22)/b11-6-.
What are the key properties of (Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)prop-2-enamide?
(Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)prop-2-enamide has a molecular weight of 359.84 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(2-cyclopropyl-1,3-thiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 47495529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).