2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C12H10Cl2N2OS2 — CID 977945

IUPAC2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)Nc1nccs1
InChIInChI=1S/C12H10Cl2N2OS2/c13-9-2-1-3-10(14)8(9)6-18-7-11(17)16-12-15-4-5-19-12/h1-5H,6-7H2,(H,15,16,17)
InChIKeyAVQSUQBJAPDVCN-UHFFFAOYSA-N
MW333.27 g/mol
LogP4.32
Rot. Bonds5

About 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 977945) has the molecular formula C12H10Cl2N2OS2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID977945
Molecular FormulaC12H10Cl2N2OS2
Molecular Weight333.27 g/mol
Exact Mass331.96
IUPAC Name2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSCc1c(Cl)cccc1Cl)Nc1nccs1
InChIInChI=1S/C12H10Cl2N2OS2/c13-9-2-1-3-10(14)8(9)6-18-7-11(17)16-12-15-4-5-19-12/h1-5H,6-7H2,(H,15,16,17)
InChIKeyAVQSUQBJAPDVCN-UHFFFAOYSA-N
XLogP4.32
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Thiourea, N-(2-(2-chloro-6-fluorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001094
Thiourea, N-(2-(2-chlorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001171
2-(2,6-Dichlorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 3024635
(E)-3-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 692477
2-(2-chloro-6-fluorophenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 1241668
3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 7254594
Acetamide, 2-(4-chlorobenzylsulfanyl)-N-thiazol-2-yl-
CID 709144
(Z)-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 1555760
3-phenyl-N-1,3-thiazol-2-yl-2-butenamide
CID 2191773
2-(phenylsulfanyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2303777
2-(2,6-dichlorophenyl)sulfanyl-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 2522154
3-(4-chlorobenzenesulfonyl)-N-(1,3-thiazol-2-yl)propanamide
CID 7254312

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 977945) is 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CSCc1c(Cl)cccc1Cl)Nc1nccs1.
What is the InChIKey of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is AVQSUQBJAPDVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2OS2/c13-9-2-1-3-10(14)8(9)6-18-7-11(17)16-12-15-4-5-19-12/h1-5H,6-7H2,(H,15,16,17).
What are the key properties of 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 333.27 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 977945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).