2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide

C13H14N2OS — CID 110738852

IUPAC2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCc1ccc(CC(=O)NCc2nccs2)cc1
InChIInChI=1S/C13H14N2OS/c1-10-2-4-11(5-3-10)8-12(16)15-9-13-14-6-7-17-13/h2-7H,8-9H2,1H3,(H,15,16)
InChIKeyHWUWQRMSZLGDMX-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.31
Rot. Bonds4

About 2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide

2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide (PubChem CID 110738852) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
PubChem CID110738852
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
SMILESCc1ccc(CC(=O)NCc2nccs2)cc1
InChIInChI=1S/C13H14N2OS/c1-10-2-4-11(5-3-10)8-12(16)15-9-13-14-6-7-17-13/h2-7H,8-9H2,1H3,(H,15,16)
InChIKeyHWUWQRMSZLGDMX-UHFFFAOYSA-N
XLogP2.31
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110463122
2-phenyl-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 110442320
N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 67124836
ethane;N-(1,3-thiazol-2-ylmethyl)acetamide
CID 177244063
2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 110746438
3-amino-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 61284856
3-bromo-N-(1,3-thiazol-2-ylmethyl)propanamide
CID 82110922
4-(4-methylbenzoyl)-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide
CID 138994396
2-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 43320104
1-methyl-3-(1,3-thiazol-2-ylmethyl)urea
CID 23548411
6-methyl-N-(1,3-thiazol-2-ylmethyl)pyridine-2-carboxamide
CID 110462485
2-(4-chlorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 51315954

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide (CID 110738852) is 2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide is Cc1ccc(CC(=O)NCc2nccs2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
The InChIKey is HWUWQRMSZLGDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-10-2-4-11(5-3-10)8-12(16)15-9-13-14-6-7-17-13/h2-7H,8-9H2,1H3,(H,15,16).
What are the key properties of 2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide?
2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide has a molecular weight of 246.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-(1,3-thiazol-2-ylmethyl)acetamide is sourced from PubChem (CID 110738852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).