4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide

C12H12N2OS2 — CID 47364833

IUPAC4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCSCc1csc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C12H12N2OS2/c1-16-6-10-7-17-12(14-10)9-4-2-8(3-5-9)11(13)15/h2-5,7H,6H2,1H3,(H2,13,15)
InChIKeyDGPKZJJERVGOJD-UHFFFAOYSA-N
MW264.38 g/mol
LogP2.77
Rot. Bonds4

About 4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide

4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 47364833) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is 4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide
PubChem CID47364833
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC Name4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide
SMILESCSCc1csc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C12H12N2OS2/c1-16-6-10-7-17-12(14-10)9-4-2-8(3-5-9)11(13)15/h2-5,7H,6H2,1H3,(H2,13,15)
InChIKeyDGPKZJJERVGOJD-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 60564824
4-[4-[[(1S)-1-(3,4-difluorophenyl)ethyl]sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 95044284
4-[4-[(3-methyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 60563932
methyl 4-[[2-(4-carbamoylphenyl)-1,3-thiazol-4-yl]methoxy]benzoate
CID 60564920
4-[4-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 55997389
4-[4-[[1-(4-butylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazol-2-yl]benzamide
CID 60564136
4-[4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]-1,3-thiazol-2-yl]benzamide
CID 86789553
4-[4-[(2-bromophenoxy)methyl]-1,3-thiazol-2-yl]benzamide
CID 60564937
4-[4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 111334097
methyl 4-[4-(1,3,4-thiadiazol-2-ylsulfanylmethyl)-1,3-thiazol-2-yl]benzoate
CID 47087871
4-[4-[[(2S,5R)-5-(hydroxymethyl)-2-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 97325866
4-[4-[(4-nitrophenoxy)methyl]-1,3-thiazol-2-yl]benzamide
CID 60564841

Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide (CID 47364833) is 4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide is CSCc1csc(-c2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is DGPKZJJERVGOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-16-6-10-7-17-12(14-10)9-4-2-8(3-5-9)11(13)15/h2-5,7H,6H2,1H3,(H2,13,15).
What are the key properties of 4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide?
4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 264.38 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylsulfanylmethyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 47364833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).