4-methyl-N-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-thiazole-5-carboxamide

C20H17N3O2S — CID 1468095

IUPAC4-methyl-N-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H17N3O2S/c1-14-18(19(25)22-16-10-6-3-7-11-16)26-20(21-14)23-17(24)13-12-15-8-4-2-5-9-15/h2-13H,1H3,(H,22,25)(H,21,23,24)/b13-12+
InChIKeyOCETYEQWKZTRCO-OUKQBFOZSA-N
MW363.44 g/mol
LogP4.36
Rot. Bonds5

About 4-methyl-N-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-thiazole-5-carboxamide

4-methyl-N-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 1468095) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-methyl-N-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID1468095
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name4-methyl-N-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)Nc1ccccc1
InChIInChI=1S/C20H17N3O2S/c1-14-18(19(25)22-16-10-6-3-7-11-16)26-20(21-14)23-17(24)13-12-15-8-4-2-5-9-15/h2-13H,1H3,(H,22,25)(H,21,23,24)/b13-12+
InChIKeyOCETYEQWKZTRCO-OUKQBFOZSA-N
XLogP4.36
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.36
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-thiazole-5-carboxamide (CID 1468095) is 4-methyl-N-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-methyl-N-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is OCETYEQWKZTRCO-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-14-18(19(25)22-16-10-6-3-7-11-16)26-20(21-14)23-17(24)13-12-15-8-4-2-5-9-15/h2-13H,1H3,(H,22,25)(H,21,23,24)/b13-12+.
What are the key properties of 4-methyl-N-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-thiazole-5-carboxamide?
4-methyl-N-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 1468095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).