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

C19H15N3O2S — CID 6091158

IUPAC4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H15N3O2S/c23-17(11-6-14-4-2-1-3-5-14)21-16-9-7-15(8-10-16)18(24)22-19-20-12-13-25-19/h1-13H,(H,21,23)(H,20,22,24)/b11-6+
InChIKeyBHLVOLVQRCQTHW-IZZDOVSWSA-N
MW349.42 g/mol
LogP4.05
Rot. Bonds5

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

4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide (PubChem CID 6091158) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is 4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
PubChem CID6091158
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC Name4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
SMILESO=C(/C=C/c1ccccc1)Nc1ccc(C(=O)Nc2nccs2)cc1
InChIInChI=1S/C19H15N3O2S/c23-17(11-6-14-4-2-1-3-5-14)21-16-9-7-15(8-10-16)18(24)22-19-20-12-13-25-19/h1-13H,(H,21,23)(H,20,22,24)/b11-6+
InChIKeyBHLVOLVQRCQTHW-IZZDOVSWSA-N
XLogP4.05
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(E)-3-(4-bromophenyl)prop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361550
N-methyl-4-[(E)-3-oxo-3-(1,3-thiazol-2-ylamino)prop-1-enyl]benzamide
CID 134062092
(E)-N-[4-[2-oxo-1-phenyl-2-(1,3-thiazol-2-ylamino)ethyl]sulfanylphenyl]-3-phenylprop-2-enamide
CID 23096846
N-(1,3-thiazol-2-yl)benzamide;hydrochloride
CID 141066064
(Z)-3-phenyl-N-(1,3-thiazol-2-ylcarbamothioyl)prop-2-enamide
CID 92527231
4-tert-butyl-N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]benzamide
CID 2173598
3-phenyl-N-[4-(pyridine-4-carbonyl)phenyl]prop-2-enamide
CID 3825702
4-oxo-4-[4-(1,3-thiazol-2-ylcarbamoyl)anilino]butanoic acid
CID 774064
N-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]thiophene-2-carboxamide
CID 5411250
4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,2,4-triazol-4-yl)benzamide
CID 21369460
4-(2-phenylbutanoylamino)-N-(1,3-thiazol-2-yl)benzamide
CID 17361450
3-[(4-phenylbenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361308

Frequently Asked Questions

What is the IUPAC name of 4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide (CID 6091158) is 4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide is O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
The InChIKey is BHLVOLVQRCQTHW-IZZDOVSWSA-N. The full InChI is InChI=1S/C19H15N3O2S/c23-17(11-6-14-4-2-1-3-5-14)21-16-9-7-15(8-10-16)18(24)22-19-20-12-13-25-19/h1-13H,(H,21,23)(H,20,22,24)/b11-6+.
What are the key properties of 4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide?
4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide has a molecular weight of 349.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(E)-3-phenylprop-2-enoyl]amino]-N-(1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 6091158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).