[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-piperidin-1-ylmethanone

C17H17ClN4OS — CID 2745862

IUPAC[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCCC2)sc2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C17H17ClN4OS/c1-11-14(16(23)21-9-3-2-4-10-21)24-17-19-15(20-22(11)17)12-5-7-13(18)8-6-12/h5-8H,2-4,9-10H2,1H3
InChIKeyWSIXGKZRWRSBJA-UHFFFAOYSA-N
MW360.87 g/mol
LogP4.05
Rot. Bonds2

About [2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-piperidin-1-ylmethanone

[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 2745862) has the molecular formula C17H17ClN4OS and a molecular weight of 360.87 g/mol. Its IUPAC name is [2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-piperidin-1-ylmethanone
PubChem CID2745862
Molecular FormulaC17H17ClN4OS
Molecular Weight360.87 g/mol
Exact Mass360.08
IUPAC Name[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1c(C(=O)N2CCCCC2)sc2nc(-c3ccc(Cl)cc3)nn12
InChIInChI=1S/C17H17ClN4OS/c1-11-14(16(23)21-9-3-2-4-10-21)24-17-19-15(20-22(11)17)12-5-7-13(18)8-6-12/h5-8H,2-4,9-10H2,1H3
InChIKeyWSIXGKZRWRSBJA-UHFFFAOYSA-N
XLogP4.05
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.87
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-piperidin-1-ylmethanone (CID 2745862) is [2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-piperidin-1-ylmethanone is Cc1c(C(=O)N2CCCCC2)sc2nc(-c3ccc(Cl)cc3)nn12.
What is the InChIKey of [2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is WSIXGKZRWRSBJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4OS/c1-11-14(16(23)21-9-3-2-4-10-21)24-17-19-15(20-22(11)17)12-5-7-13(18)8-6-12/h5-8H,2-4,9-10H2,1H3.
What are the key properties of [2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-piperidin-1-ylmethanone?
[2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 360.87 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)-6-methyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 2745862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).