2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

C13H11ClN6OS2 — CID 581574

IUPAC2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2nccs2)cc1Cl
InChIInChI=1S/C13H11ClN6OS2/c1-8-2-3-9(6-10(8)14)20-13(17-18-19-20)23-7-11(21)16-12-15-4-5-22-12/h2-6H,7H2,1H3,(H,15,16,21)
InChIKeySMWDTUKTAAWMLN-UHFFFAOYSA-N
MW366.86 g/mol
LogP2.81
Rot. Bonds5

About 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide

2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 581574) has the molecular formula C13H11ClN6OS2 and a molecular weight of 366.86 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
PubChem CID581574
Molecular FormulaC13H11ClN6OS2
Molecular Weight366.86 g/mol
Exact Mass366.01
IUPAC Name2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(-n2nnnc2SCC(=O)Nc2nccs2)cc1Cl
InChIInChI=1S/C13H11ClN6OS2/c1-8-2-3-9(6-10(8)14)20-13(17-18-19-20)23-7-11(21)16-12-15-4-5-22-12/h2-6H,7H2,1H3,(H,15,16,21)
InChIKeySMWDTUKTAAWMLN-UHFFFAOYSA-N
XLogP2.81
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide (CID 581574) is 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is Cc1ccc(-n2nnnc2SCC(=O)Nc2nccs2)cc1Cl.
What is the InChIKey of 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is SMWDTUKTAAWMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6OS2/c1-8-2-3-9(6-10(8)14)20-13(17-18-19-20)23-7-11(21)16-12-15-4-5-22-12/h2-6H,7H2,1H3,(H,15,16,21).
What are the key properties of 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide?
2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 366.86 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 581574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).