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

C12H12N2OS2 — CID 116970137

IUPAC2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCSc1ccc(-c2csc(CC(N)=O)n2)cc1
InChIInChI=1S/C12H12N2OS2/c1-16-9-4-2-8(3-5-9)10-7-17-12(14-10)6-11(13)15/h2-5,7H,6H2,1H3,(H2,13,15)
InChIKeyCLMGNMHUHIAYNR-UHFFFAOYSA-N
MW264.38 g/mol
LogP2.56
Rot. Bonds4

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

2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 116970137) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID116970137
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCSc1ccc(-c2csc(CC(N)=O)n2)cc1
InChIInChI=1S/C12H12N2OS2/c1-16-9-4-2-8(3-5-9)10-7-17-12(14-10)6-11(13)15/h2-5,7H,6H2,1H3,(H2,13,15)
InChIKeyCLMGNMHUHIAYNR-UHFFFAOYSA-N
XLogP2.56
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 47302358
N-[4-[2-(2-amino-2-oxoethyl)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
CID 9174046
N-(3-methylphenyl)-2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide
CID 32951588
2-[4-(4-ethylsulfanylphenyl)-1,3-thiazol-2-yl]acetic acid
CID 4264597
2-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 9174069
2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]acetamide
CID 9174003
2-[4-[4-[(3S)-3-acetamidobutyl]phenyl]-1,3-thiazol-2-yl]acetamide
CID 9174080
2-[4-(3-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 9173965
3-amino-N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]butanamide
CID 119687624
2-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 82118916
2-[(2,5-dimethylphenyl)methyl]-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 144541797
2-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 9173961

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide (CID 116970137) is 2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide is CSc1ccc(-c2csc(CC(N)=O)n2)cc1.
What is the InChIKey of 2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CLMGNMHUHIAYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-16-9-4-2-8(3-5-9)10-7-17-12(14-10)6-11(13)15/h2-5,7H,6H2,1H3,(H2,13,15).
What are the key properties of 2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide?
2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 264.38 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 116970137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).