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

C13H10ClN5OS2 — CID 4666105

IUPAC2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nn1cnnc1
InChIInChI=1S/C13H10ClN5OS2/c14-10-3-1-9(2-4-10)11-5-21-13(17-11)22-6-12(20)18-19-7-15-16-8-19/h1-5,7-8H,6H2,(H,18,20)
InChIKeyPFAQQUQPQSNMIM-UHFFFAOYSA-N
MW351.84 g/mol
LogP2.92
Rot. Bonds5

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

2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 4666105) has the molecular formula C13H10ClN5OS2 and a molecular weight of 351.84 g/mol. Its IUPAC name is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID4666105
Molecular FormulaC13H10ClN5OS2
Molecular Weight351.84 g/mol
Exact Mass351.00
IUPAC Name2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide
SMILESO=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nn1cnnc1
InChIInChI=1S/C13H10ClN5OS2/c14-10-3-1-9(2-4-10)11-5-21-13(17-11)22-6-12(20)18-19-7-15-16-8-19/h1-5,7-8H,6H2,(H,18,20)
InChIKeyPFAQQUQPQSNMIM-UHFFFAOYSA-N
XLogP2.92
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide (CID 4666105) is 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide is O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nn1cnnc1.
What is the InChIKey of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is PFAQQUQPQSNMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5OS2/c14-10-3-1-9(2-4-10)11-5-21-13(17-11)22-6-12(20)18-19-7-15-16-8-19/h1-5,7-8H,6H2,(H,18,20).
What are the key properties of 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide?
2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 351.84 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 4666105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).