3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C13H13ClN2OS2 — CID 2679359

IUPAC3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCSc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H13ClN2OS2/c1-9-8-19-13(15-9)16-12(17)6-7-18-11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,16,17)
InChIKeyZJAVCSCLZYPDET-UHFFFAOYSA-N
MW312.85 g/mol
LogP4.23
Rot. Bonds5

About 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide

3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 2679359) has the molecular formula C13H13ClN2OS2 and a molecular weight of 312.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID2679359
Molecular FormulaC13H13ClN2OS2
Molecular Weight312.85 g/mol
Exact Mass312.02
IUPAC Name3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)CCSc2ccc(Cl)cc2)n1
InChIInChI=1S/C13H13ClN2OS2/c1-9-8-19-13(15-9)16-12(17)6-7-18-11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,16,17)
InChIKeyZJAVCSCLZYPDET-UHFFFAOYSA-N
XLogP4.23
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.85
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 4908224
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7545675
N-(4-acetyl-1,3-thiazol-2-yl)-4-(4-chlorophenyl)sulfanylbutanamide
CID 134030860
3-(4-chlorophenyl)sulfanyl-N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7921833
3-(4-chlorophenyl)sulfanyl-N-(4,6-dimethylpyrimidin-2-yl)propanamide
CID 17257510
3-(4-chlorophenyl)sulfanyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]propanamide
CID 2444908
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-(4-methoxyphenyl)sulfanylpropanamide
CID 41324837
N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 55434116
2-(4-fluorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2995110
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)sulfanylpropanamide
CID 18573284
ethyl 2-[2-[3-(4-methylphenyl)sulfanylpropanoylamino]-1,3-thiazol-4-yl]-2-oxoacetate
CID 2444838
2-[(4-chlorophenyl)methylsulfonyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 17225204

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 2679359) is 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)CCSc2ccc(Cl)cc2)n1.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is ZJAVCSCLZYPDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2OS2/c1-9-8-19-13(15-9)16-12(17)6-7-18-11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,16,17).
What are the key properties of 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 312.85 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2679359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).