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

C15H12N4S3 — CID 3245231

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCc1nc(CSc2nnc3scc(-c4ccccc4)n23)cs1
InChIInChI=1S/C15H12N4S3/c1-10-16-12(7-20-10)8-21-14-17-18-15-19(14)13(9-22-15)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyFUSVFOTUHCYIIP-UHFFFAOYSA-N
MW344.49 g/mol
LogP4.52
Rot. Bonds4

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

3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole (PubChem CID 3245231) has the molecular formula C15H12N4S3 and a molecular weight of 344.49 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
PubChem CID3245231
Molecular FormulaC15H12N4S3
Molecular Weight344.49 g/mol
Exact Mass344.02
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole
SMILESCc1nc(CSc2nnc3scc(-c4ccccc4)n23)cs1
InChIInChI=1S/C15H12N4S3/c1-10-16-12(7-20-10)8-21-14-17-18-15-19(14)13(9-22-15)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyFUSVFOTUHCYIIP-UHFFFAOYSA-N
XLogP4.52
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.49
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole (CID 3245231) is 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole is Cc1nc(CSc2nnc3scc(-c4ccccc4)n23)cs1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
The InChIKey is FUSVFOTUHCYIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S3/c1-10-16-12(7-20-10)8-21-14-17-18-15-19(14)13(9-22-15)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3.
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole?
3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole has a molecular weight of 344.49 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-5-phenyl-[1,3]thiazolo[2,3-c][1,2,4]triazole is sourced from PubChem (CID 3245231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).