N-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide

C12H12N2OS2 — CID 71900557

IUPACN-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccccc2)sn1
InChIInChI=1S/C12H12N2OS2/c1-9-7-12(17-14-9)13-11(15)8-16-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,15)
InChIKeyQFUUTAUECFONSI-UHFFFAOYSA-N
MW264.38 g/mol
LogP3.18
Rot. Bonds4

About N-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide

N-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide (PubChem CID 71900557) has the molecular formula C12H12N2OS2 and a molecular weight of 264.38 g/mol. Its IUPAC name is N-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide
PubChem CID71900557
Molecular FormulaC12H12N2OS2
Molecular Weight264.38 g/mol
Exact Mass264.04
IUPAC NameN-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide
SMILESCc1cc(NC(=O)CSc2ccccc2)sn1
InChIInChI=1S/C12H12N2OS2/c1-9-7-12(17-14-9)13-11(15)8-16-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,15)
InChIKeyQFUUTAUECFONSI-UHFFFAOYSA-N
XLogP3.18
TPSA41.99 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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-ethyl-1,2,4-thiadiazol-3-yl)-2-phenylsulfanylacetamide
CID 167952929
N-(3-methylphenyl)-2-phenylsulfanylacetamide
CID 532042
ethyl 3-methyl-5-[(2-phenylsulfanylacetyl)amino]thiophene-2-carboxylate
CID 7254718
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-phenylsulfanylacetamide
CID 78762299
2-phenylsulfanyl-N-(2,4,6-trifluorophenyl)acetamide
CID 167825999
N-[4-[[2,6-diethyl-4-[(2-phenylsulfanylacetyl)amino]phenyl]methyl]-3,5-diethylphenyl]-2-phenylsulfanylacetamide
CID 4601637
N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide
CID 6460145
N-(2,6-difluorophenyl)-2-phenylsulfanylacetamide
CID 956399
N-(2,6-dichlorophenyl)-2-phenylsulfanylacetamide
CID 963352
(3-methyl-1,2-thiazol-5-yl)urea
CID 18432878
2-phenylsulfanyl-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 35523950
N-(3,4-dichlorophenyl)-2-phenylsulfanylacetamide
CID 767057

Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide?
The IUPAC name of N-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide (CID 71900557) is N-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide.
What is the SMILES notation for N-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide?
The canonical SMILES for N-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide is Cc1cc(NC(=O)CSc2ccccc2)sn1.
What is the InChIKey of N-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide?
The InChIKey is QFUUTAUECFONSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2OS2/c1-9-7-12(17-14-9)13-11(15)8-16-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,13,15).
What are the key properties of N-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide?
N-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide has a molecular weight of 264.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-thiazol-5-yl)-2-phenylsulfanylacetamide is sourced from PubChem (CID 71900557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).