2-[(4-chlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide

C12H11ClN2OS2 — CID 709144

IUPAC2-[(4-chlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)Nc1nccs1
InChIInChI=1S/C12H11ClN2OS2/c13-10-3-1-9(2-4-10)7-17-8-11(16)15-12-14-5-6-18-12/h1-6H,7-8H2,(H,14,15,16)
InChIKeyVNDKVRPZDLMDAF-UHFFFAOYSA-N
MW298.82 g/mol
LogP3.67
Rot. Bonds5

About 2-[(4-chlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide

2-[(4-chlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 709144) has the molecular formula C12H11ClN2OS2 and a molecular weight of 298.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID709144
Molecular FormulaC12H11ClN2OS2
Molecular Weight298.82 g/mol
Exact Mass298.00
IUPAC Name2-[(4-chlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(CSCc1ccc(Cl)cc1)Nc1nccs1
InChIInChI=1S/C12H11ClN2OS2/c13-10-3-1-9(2-4-10)7-17-8-11(16)15-12-14-5-6-18-12/h1-6H,7-8H2,(H,14,15,16)
InChIKeyVNDKVRPZDLMDAF-UHFFFAOYSA-N
XLogP3.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Phenyl-N-(1,3-thiazol-2-yl)propanamide
CID 567867
2-(4-chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide
CID 4307629
(2S)-2-(4-chlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)butanamide
CID 854189
Thiourea, N-(2-(2-chlorophenyl)ethyl)-N'-2-thiazolyl-
CID 3001171
4-phenyl-N-(1,3-thiazol-2-yl)butanamide
CID 3310551
N-[(4-chlorophenyl)methyl]-N'-(1,3-thiazol-2-yl)oxamide
CID 1973551
(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
1-(4-chlorophenyl)-N-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 2462314
3-(4-methylphenyl)sulfanyl-N-(1,3-thiazol-2-yl)propanamide
CID 7254594
2-[(2,6-dichlorobenzyl)thio]-N-1,3-thiazol-2-ylacetamide
CID 977945
(Z)-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 1555760

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide (CID 709144) is 2-[(4-chlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide is O=C(CSCc1ccc(Cl)cc1)Nc1nccs1.
What is the InChIKey of 2-[(4-chlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is VNDKVRPZDLMDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS2/c13-10-3-1-9(2-4-10)7-17-8-11(16)15-12-14-5-6-18-12/h1-6H,7-8H2,(H,14,15,16).
What are the key properties of 2-[(4-chlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(4-chlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 298.82 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methylsulfanyl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 709144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).