(E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-diphenylprop-2-enamide

C24H17ClN2OS — CID 19195372

IUPAC(E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-diphenylprop-2-enamide
SMILESO=C(Nc1nc(-c2ccccc2Cl)cs1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C24H17ClN2OS/c25-21-14-8-7-13-19(21)22-16-29-24(26-22)27-23(28)20(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-16H,(H,26,27,28)/b20-15+
InChIKeyBIRVXISZXFXSOT-HMMYKYKNSA-N
MW416.93 g/mol
LogP6.64
Rot. Bonds5

About (E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-diphenylprop-2-enamide

(E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-diphenylprop-2-enamide (PubChem CID 19195372) has the molecular formula C24H17ClN2OS and a molecular weight of 416.93 g/mol. Its IUPAC name is (E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-diphenylprop-2-enamide
PubChem CID19195372
Molecular FormulaC24H17ClN2OS
Molecular Weight416.93 g/mol
Exact Mass416.08
IUPAC Name(E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-diphenylprop-2-enamide
SMILESO=C(Nc1nc(-c2ccccc2Cl)cs1)/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C24H17ClN2OS/c25-21-14-8-7-13-19(21)22-16-29-24(26-22)27-23(28)20(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-16H,(H,26,27,28)/b20-15+
InChIKeyBIRVXISZXFXSOT-HMMYKYKNSA-N
XLogP6.64
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.93
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2,3-diphenylprop-2-enamide
CID 108756812
(Z)-N-[3-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]phenyl]-2,3-diphenylprop-2-enamide
CID 108770304
2-[2-[[(E)-2,3-diphenylprop-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 102534467
(Z)-4-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-4-oxobut-2-enoic acid
CID 46235790
4-chloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 19194946
2,6-dichloro-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 35523547
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 19194885
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 23860914
(E)-3-(3,4-dimethoxyphenyl)-2-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 108769745
N-[2-[[4-(2-chlorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 78803762
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]furan-3-carboxamide
CID 18102049
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 26065990

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-diphenylprop-2-enamide?
The IUPAC name of (E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-diphenylprop-2-enamide (CID 19195372) is (E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-diphenylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-diphenylprop-2-enamide is O=C(Nc1nc(-c2ccccc2Cl)cs1)/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-diphenylprop-2-enamide?
The InChIKey is BIRVXISZXFXSOT-HMMYKYKNSA-N. The full InChI is InChI=1S/C24H17ClN2OS/c25-21-14-8-7-13-19(21)22-16-29-24(26-22)27-23(28)20(18-11-5-2-6-12-18)15-17-9-3-1-4-10-17/h1-16H,(H,26,27,28)/b20-15+.
What are the key properties of (E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-diphenylprop-2-enamide?
(E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-diphenylprop-2-enamide has a molecular weight of 416.93 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 19195372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).