N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide

C14H15N3O2S — CID 16915593

IUPACN-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(NC(=O)CCc2ccccc2)n1
InChIInChI=1S/C14H15N3O2S/c1-15-13(19)11-9-20-14(16-11)17-12(18)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyMVIZDFDXBCVQNI-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.07
Rot. Bonds5

About N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide

N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide (PubChem CID 16915593) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
PubChem CID16915593
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC NameN-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1csc(NC(=O)CCc2ccccc2)n1
InChIInChI=1S/C14H15N3O2S/c1-15-13(19)11-9-20-14(16-11)17-12(18)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,19)(H,16,17,18)
InChIKeyMVIZDFDXBCVQNI-UHFFFAOYSA-N
XLogP2.07
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 84555961
N-(5-chloro-2-pyridinyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 84551045
N-[4-[1-(methylamino)ethyl]-1,3-thiazol-2-yl]-3-phenylpropanamide
CID 64557853
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
2-[(2-phenylacetyl)amino]-N-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 84555769
ethyl 4-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]amino]benzoate
CID 84550864
3-[[2-(3-phenylpropanoylamino)-1,3-thiazole-4-carbonyl]-propylamino]propanoic acid
CID 84555488
2-(3-phenylpropanoylamino)-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 84551102
N-(3-carbamoyl-5-methylthiophen-2-yl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 84560154
N-(2-methyl-3-nitrophenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 84551093
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide
CID 84550912
N-(4-methyl-1,3-thiazol-2-yl)-2-[(2-phenylacetyl)amino]-1,3-thiazole-4-carboxamide
CID 84560120

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide (CID 16915593) is N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide is CNC(=O)c1csc(NC(=O)CCc2ccccc2)n1.
What is the InChIKey of N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide?
The InChIKey is MVIZDFDXBCVQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-15-13(19)11-9-20-14(16-11)17-12(18)8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,15,19)(H,16,17,18).
What are the key properties of N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide?
N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide has a molecular weight of 289.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-phenylpropanoylamino)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 16915593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).