2-(2,5-dichlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C13H12Cl2N2OS2 — CID 47267214

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)C(C)Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H12Cl2N2OS2/c1-7-6-19-13(16-7)17-12(18)8(2)20-11-5-9(14)3-4-10(11)15/h3-6,8H,1-2H3,(H,16,17,18)
InChIKeyQXOGHXSMTKKVNH-UHFFFAOYSA-N
MW347.29 g/mol
LogP4.88
Rot. Bonds4

About 2-(2,5-dichlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide

2-(2,5-dichlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 47267214) has the molecular formula C13H12Cl2N2OS2 and a molecular weight of 347.29 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID47267214
Molecular FormulaC13H12Cl2N2OS2
Molecular Weight347.29 g/mol
Exact Mass345.98
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1csc(NC(=O)C(C)Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H12Cl2N2OS2/c1-7-6-19-13(16-7)17-12(18)8(2)20-11-5-9(14)3-4-10(11)15/h3-6,8H,1-2H3,(H,16,17,18)
InChIKeyQXOGHXSMTKKVNH-UHFFFAOYSA-N
XLogP4.88
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 41019981
(2R)-2-(2,4-dichlorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 7939457
(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 27241479
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methylphenyl)sulfanylpropanamide
CID 23772582
(2R)-N-(5-chloro-2-pyridinyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 2536471
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(3-methylphenyl)propanamide
CID 7870527
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 8736586
2-(2,5-dichlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 46610623
4-chloro-N-[(1R)-1-[4-methyl-5-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
CID 41002917
N-(3-chloro-4-fluorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 46622493
(2S)-N-(3-chlorophenyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2532586
(2S)-2-(2,5-dichlorophenyl)sulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 8736548

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 47267214) is 2-(2,5-dichlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1csc(NC(=O)C(C)Sc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is QXOGHXSMTKKVNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2OS2/c1-7-6-19-13(16-7)17-12(18)8(2)20-11-5-9(14)3-4-10(11)15/h3-6,8H,1-2H3,(H,16,17,18).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
2-(2,5-dichlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 347.29 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 47267214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).