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

C12H12N2O2S — CID 735048

IUPACN-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(-c2csc(NC(C)=O)n2)c1
InChIInChI=1S/C12H12N2O2S/c1-8(15)13-12-14-11(7-17-12)9-4-3-5-10(6-9)16-2/h3-7H,1-2H3,(H,13,14,15)
InChIKeyZPCBLMNNEARNKK-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.78
Rot. Bonds3

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

N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 735048) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID735048
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(-c2csc(NC(C)=O)n2)c1
InChIInChI=1S/C12H12N2O2S/c1-8(15)13-12-14-11(7-17-12)9-4-3-5-10(6-9)16-2/h3-7H,1-2H3,(H,13,14,15)
InChIKeyZPCBLMNNEARNKK-UHFFFAOYSA-N
XLogP2.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(4-methoxyphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide (CID 735048) is N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is COc1cccc(-c2csc(NC(C)=O)n2)c1.
What is the InChIKey of N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is ZPCBLMNNEARNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c1-8(15)13-12-14-11(7-17-12)9-4-3-5-10(6-9)16-2/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide?
N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 248.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 735048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).