2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C12H10Cl2N2OS2 — CID 2522154

IUPAC2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CSc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C12H10Cl2N2OS2/c1-7-5-15-12(19-7)16-10(17)6-18-11-8(13)3-2-4-9(11)14/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyCMXBLBDEIROVGW-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.49
Rot. Bonds4

About 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 2522154) has the molecular formula C12H10Cl2N2OS2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID2522154
Molecular FormulaC12H10Cl2N2OS2
Molecular Weight333.27 g/mol
Exact Mass331.96
IUPAC Name2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CSc2c(Cl)cccc2Cl)s1
InChIInChI=1S/C12H10Cl2N2OS2/c1-7-5-15-12(19-7)16-10(17)6-18-11-8(13)3-2-4-9(11)14/h2-5H,6H2,1H3,(H,15,16,17)
InChIKeyCMXBLBDEIROVGW-UHFFFAOYSA-N
XLogP4.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-dichlorobenzyl)thio]-N-1,3-thiazol-2-ylacetamide
CID 977945
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2093865
3-(4-chlorobenzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide
CID 7254312
N-(5-methyl-1,3-thiazol-2-yl)-2-(phenylsulfanyl)acetamide
CID 900889
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 726201
2-(2,4-Dichloro-benzylsulfanyl)-N-thiazol-2-yl-acetamide
CID 929385
2-(4-chlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2193996
2-(4-methylphenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2194055
N-{5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl}acetamide
CID 729494
2-((4-chlorophenyl)sulfonyl)-N-(thiazol-2-yl)acetamide
CID 7254249
N-(5-methyl-1,3-thiazol-2-yl)-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 17405005
2-(4-chlorophenylsulfonyl)-2-methyl-N-(5-methylthiazol-2-yl)propanamide
CID 44569590

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 2522154) is 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)CSc2c(Cl)cccc2Cl)s1.
What is the InChIKey of 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is CMXBLBDEIROVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS2/c1-7-5-15-12(19-7)16-10(17)6-18-11-8(13)3-2-4-9(11)14/h2-5H,6H2,1H3,(H,15,16,17).
What are the key properties of 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 333.27 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2522154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).