2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

C12H12N2OS — CID 1079159

IUPAC2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(CC(N)=O)n2)cc1
InChIInChI=1S/C12H12N2OS/c1-8-2-4-9(5-3-8)10-7-16-12(14-10)6-11(13)15/h2-5,7H,6H2,1H3,(H2,13,15)
InChIKeyJDEGGWYONJJVEJ-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.15
Rot. Bonds3

About 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide

2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 1079159) has the molecular formula C12H12N2OS and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID1079159
Molecular FormulaC12H12N2OS
Molecular Weight232.31 g/mol
Exact Mass232.07
IUPAC Name2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCc1ccc(-c2csc(CC(N)=O)n2)cc1
InChIInChI=1S/C12H12N2OS/c1-8-2-4-9(5-3-8)10-7-16-12(14-10)6-11(13)15/h2-5,7H,6H2,1H3,(H2,13,15)
InChIKeyJDEGGWYONJJVEJ-UHFFFAOYSA-N
XLogP2.15
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-4-phenyl-1,3-thiazole
CID 584377
3-(2-Methyl-thiazol-4-yl)-phenylamine
CID 736535
2-[4-(4-Bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 560765
4-Methyl-2-Phenyl-1,3-Thiazole-5-Carboxamide
CID 737887
4-(2-methylthiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzamide
CID 73504380
4-Phenyl-2-thiazoleethanamine
CID 1497794
N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
CID 2591198
1-(2-Phenyl-1,3-thiazol-4-yl)ethan-1-one
CID 604819
2-[4-(4-Nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 737179
2-Methyl-4-(4-aminophenyl)thiazole
CID 152684
2-Methyl-4-(4-methylphenyl)-1,3-thiazole
CID 667561
N-(cyanomethyl)-4-methyl-2-(2-phenyl-1,3-thiazol-4-yl)pentanamide
CID 11034349

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 1079159) is 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is Cc1ccc(-c2csc(CC(N)=O)n2)cc1.
What is the InChIKey of 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is JDEGGWYONJJVEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS/c1-8-2-4-9(5-3-8)10-7-16-12(14-10)6-11(13)15/h2-5,7H,6H2,1H3,(H2,13,15).
What are the key properties of 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide?
2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 232.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 1079159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).