N-[4-(3-phenylprop-2-enoyl)-1,3-thiazol-2-yl]benzamide

C19H14N2O2S — CID 174923780

IUPACN-[4-(3-phenylprop-2-enoyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)C=Cc2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C19H14N2O2S/c22-17(12-11-14-7-3-1-4-8-14)16-13-24-19(20-16)21-18(23)15-9-5-2-6-10-15/h1-13H,(H,20,21,23)
InChIKeyJNZITPITEHOGCC-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.29
Rot. Bonds5

About N-[4-(3-phenylprop-2-enoyl)-1,3-thiazol-2-yl]benzamide

N-[4-(3-phenylprop-2-enoyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 174923780) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is N-[4-(3-phenylprop-2-enoyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[4-(3-phenylprop-2-enoyl)-1,3-thiazol-2-yl]benzamide
PubChem CID174923780
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC NameN-[4-(3-phenylprop-2-enoyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(C(=O)C=Cc2ccccc2)cs1)c1ccccc1
InChIInChI=1S/C19H14N2O2S/c22-17(12-11-14-7-3-1-4-8-14)16-13-24-19(20-16)21-18(23)15-9-5-2-6-10-15/h1-13H,(H,20,21,23)
InChIKeyJNZITPITEHOGCC-UHFFFAOYSA-N
XLogP4.29
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(4-acetyl-1,3-thiazol-2-yl)-3-phenylprop-2-enamide
CID 24632450
N-[4-(2-benzamido-1,3-thiazol-4-yl)-1,3-thiazol-2-yl]benzamide
CID 4294892
2-benzamido-N-ethyl-1,3-thiazole-4-carboxamide
CID 16914905
2-benzamido-N-benzyl-1,3-thiazole-4-carboxamide
CID 16914921
2-benzamido-N-(2,6-dimethylphenyl)-1,3-thiazole-4-carboxamide
CID 16914979
4-[(2-benzamido-1,3-thiazole-4-carbonyl)amino]butanoic acid
CID 39182218
2-[(4-chlorobenzoyl)amino]-N-phenyl-1,3-thiazole-4-carboxamide
CID 16915094
2-benzamido-N-(4-phenoxyphenyl)-1,3-thiazole-4-carboxamide
CID 16914969
2-benzamido-N,N-bis(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 16914887
4-chloro-N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]-1,3-thiazol-2-yl]benzamide
CID 16915172
2-benzamido-N-(3-chloro-4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16914974
2-benzamido-N-(4-bromo-3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 16914994

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenylprop-2-enoyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[4-(3-phenylprop-2-enoyl)-1,3-thiazol-2-yl]benzamide (CID 174923780) is N-[4-(3-phenylprop-2-enoyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[4-(3-phenylprop-2-enoyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[4-(3-phenylprop-2-enoyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(C(=O)C=Cc2ccccc2)cs1)c1ccccc1.
What is the InChIKey of N-[4-(3-phenylprop-2-enoyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is JNZITPITEHOGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c22-17(12-11-14-7-3-1-4-8-14)16-13-24-19(20-16)21-18(23)15-9-5-2-6-10-15/h1-13H,(H,20,21,23).
What are the key properties of N-[4-(3-phenylprop-2-enoyl)-1,3-thiazol-2-yl]benzamide?
N-[4-(3-phenylprop-2-enoyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 334.40 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-phenylprop-2-enoyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 174923780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).