5-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole

C15H11ClN4S3 — CID 2938698

IUPAC5-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCc1nc(CSc2nnc3scc(-c4ccc(Cl)cc4)n23)cs1
InChIInChI=1S/C15H11ClN4S3/c1-9-17-12(6-21-9)7-22-14-18-19-15-20(14)13(8-23-15)10-2-4-11(16)5-3-10/h2-6,8H,7H2,1H3
InChIKeyOAAWQZFUVALJBA-UHFFFAOYSA-N
MW378.94 g/mol
LogP5.17
Rot. Bonds4

About 5-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole

5-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 2938698) has the molecular formula C15H11ClN4S3 and a molecular weight of 378.94 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID2938698
Molecular FormulaC15H11ClN4S3
Molecular Weight378.94 g/mol
Exact Mass377.98
IUPAC Name5-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCc1nc(CSc2nnc3scc(-c4ccc(Cl)cc4)n23)cs1
InChIInChI=1S/C15H11ClN4S3/c1-9-17-12(6-21-9)7-22-14-18-19-15-20(14)13(8-23-15)10-2-4-11(16)5-3-10/h2-6,8H,7H2,1H3
InChIKeyOAAWQZFUVALJBA-UHFFFAOYSA-N
XLogP5.17
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.94
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 5-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 2938698) is 5-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole is Cc1nc(CSc2nnc3scc(-c4ccc(Cl)cc4)n23)cs1.
What is the InChIKey of 5-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is OAAWQZFUVALJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4S3/c1-9-17-12(6-21-9)7-22-14-18-19-15-20(14)13(8-23-15)10-2-4-11(16)5-3-10/h2-6,8H,7H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole?
5-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 378.94 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 2938698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).