4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide

C13H12N2O2S — CID 64991557

IUPAC4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C13H12N2O2S/c1-9-12(18-8-15-9)13(17)14-7-11(16)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,17)
InChIKeyMMGDKCXREYYLHJ-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.06
Rot. Bonds4

About 4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide

4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide (PubChem CID 64991557) has the molecular formula C13H12N2O2S and a molecular weight of 260.32 g/mol. Its IUPAC name is 4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide
PubChem CID64991557
Molecular FormulaC13H12N2O2S
Molecular Weight260.32 g/mol
Exact Mass260.06
IUPAC Name4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide
SMILESCc1ncsc1C(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C13H12N2O2S/c1-9-12(18-8-15-9)13(17)14-7-11(16)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,17)
InChIKeyMMGDKCXREYYLHJ-UHFFFAOYSA-N
XLogP2.06
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-phenacylthiophene-2-carboxamide
CID 64991702
4-methyl-N-(2-methylprop-2-enyl)-1,3-thiazole-5-carboxamide
CID 114618761
N-(2-amino-2-sulfanylideneethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 61126703
6-methyl-N-phenacylpyridine-3-carboxamide
CID 64991652
2-benzyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 119234033
N-(2-amino-2-methylpropyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 81482463
2-methyl-3-[(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 62676725
N-[[3-(ethylcarbamoyl)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 60516181
N-butyl-4-methyl-1,3-thiazole-5-carboxamide
CID 110848200
N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 126987991
2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]benzoic acid
CID 18071798
3-methyl-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 81064431

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide (CID 64991557) is 4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide is Cc1ncsc1C(=O)NCC(=O)c1ccccc1.
What is the InChIKey of 4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide?
The InChIKey is MMGDKCXREYYLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2S/c1-9-12(18-8-15-9)13(17)14-7-11(16)10-5-3-2-4-6-10/h2-6,8H,7H2,1H3,(H,14,17).
What are the key properties of 4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide?
4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide has a molecular weight of 260.32 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-phenacyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 64991557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).