(E)-N-(2-chlorophenyl)-2-cyano-3-(thiadiazol-4-yl)prop-2-enamide

C12H7ClN4OS — CID 47203646

IUPAC(E)-N-(2-chlorophenyl)-2-cyano-3-(thiadiazol-4-yl)prop-2-enamide
SMILESN#C/C(=C\c1csnn1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H7ClN4OS/c13-10-3-1-2-4-11(10)15-12(18)8(6-14)5-9-7-19-17-16-9/h1-5,7H,(H,15,18)/b8-5+
InChIKeyJMPMPTFTIOXDGR-VMPITWQZSA-N
MW290.74 g/mol
LogP2.74
Rot. Bonds3

About (E)-N-(2-chlorophenyl)-2-cyano-3-(thiadiazol-4-yl)prop-2-enamide

(E)-N-(2-chlorophenyl)-2-cyano-3-(thiadiazol-4-yl)prop-2-enamide (PubChem CID 47203646) has the molecular formula C12H7ClN4OS and a molecular weight of 290.74 g/mol. Its IUPAC name is (E)-N-(2-chlorophenyl)-2-cyano-3-(thiadiazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-chlorophenyl)-2-cyano-3-(thiadiazol-4-yl)prop-2-enamide
PubChem CID47203646
Molecular FormulaC12H7ClN4OS
Molecular Weight290.74 g/mol
Exact Mass290.00
IUPAC Name(E)-N-(2-chlorophenyl)-2-cyano-3-(thiadiazol-4-yl)prop-2-enamide
SMILESN#C/C(=C\c1csnn1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C12H7ClN4OS/c13-10-3-1-2-4-11(10)15-12(18)8(6-14)5-9-7-19-17-16-9/h1-5,7H,(H,15,18)/b8-5+
InChIKeyJMPMPTFTIOXDGR-VMPITWQZSA-N
XLogP2.74
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 52.74
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'}

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Related Compounds

(E)-N-benzyl-2-cyano-3-(thiadiazol-4-yl)prop-2-enamide
CID 47203643
3-(4-acetamidophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 5241148
N-(2-chlorophenyl)-2-cyano-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4083791
(Z)-2-cyano-N-(1-phenylpropyl)-3-(thiadiazol-4-yl)prop-2-enamide
CID 166405025
N-(2-chlorophenyl)-2-cyano-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]prop-2-enamide
CID 76862577
3-(5-chloro-1-methylimidazol-2-yl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 126798005
(E)-N-(2-chlorophenyl)-2-cyano-3-(5-nitrothiophen-3-yl)prop-2-enamide
CID 60512230
2-[[(Z)-3-(2-chloroanilino)-2-cyano-3-oxoprop-1-enyl]amino]benzamide
CID 108824482
(E)-N-(2-chlorophenyl)-2-cyano-3-(2,4-dimethylphenyl)prop-2-enamide
CID 7967198
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-hydroxyethylamino)prop-2-enamide
CID 108824466
3-(2-chlorophenyl)-2-cyano-N-(2-methylphenyl)prop-2-enamide
CID 4796926
(E)-3-(3-bromo-4-fluorophenyl)-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 7967210

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chlorophenyl)-2-cyano-3-(thiadiazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(2-chlorophenyl)-2-cyano-3-(thiadiazol-4-yl)prop-2-enamide (CID 47203646) is (E)-N-(2-chlorophenyl)-2-cyano-3-(thiadiazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-chlorophenyl)-2-cyano-3-(thiadiazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-chlorophenyl)-2-cyano-3-(thiadiazol-4-yl)prop-2-enamide is N#C/C(=C\c1csnn1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of (E)-N-(2-chlorophenyl)-2-cyano-3-(thiadiazol-4-yl)prop-2-enamide?
The InChIKey is JMPMPTFTIOXDGR-VMPITWQZSA-N. The full InChI is InChI=1S/C12H7ClN4OS/c13-10-3-1-2-4-11(10)15-12(18)8(6-14)5-9-7-19-17-16-9/h1-5,7H,(H,15,18)/b8-5+.
What are the key properties of (E)-N-(2-chlorophenyl)-2-cyano-3-(thiadiazol-4-yl)prop-2-enamide?
(E)-N-(2-chlorophenyl)-2-cyano-3-(thiadiazol-4-yl)prop-2-enamide has a molecular weight of 290.74 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chlorophenyl)-2-cyano-3-(thiadiazol-4-yl)prop-2-enamide is sourced from PubChem (CID 47203646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).