3-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one

C12H17N5OS — CID 136543239

IUPAC3-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCc1csc(CN2CCCCC2c2n[nH]c(=O)[nH]2)n1
InChIInChI=1S/C12H17N5OS/c1-8-7-19-10(13-8)6-17-5-3-2-4-9(17)11-14-12(18)16-15-11/h7,9H,2-6H2,1H3,(H2,14,15,16,18)
InChIKeyHSHVWKMXZQXNCB-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.59
Rot. Bonds3

About 3-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one

3-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 136543239) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 3-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID136543239
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name3-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one
SMILESCc1csc(CN2CCCCC2c2n[nH]c(=O)[nH]2)n1
InChIInChI=1S/C12H17N5OS/c1-8-7-19-10(13-8)6-17-5-3-2-4-9(17)11-14-12(18)16-15-11/h7,9H,2-6H2,1H3,(H2,14,15,16,18)
InChIKeyHSHVWKMXZQXNCB-UHFFFAOYSA-N
XLogP1.59
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one (CID 136543239) is 3-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one is Cc1csc(CN2CCCCC2c2n[nH]c(=O)[nH]2)n1.
What is the InChIKey of 3-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is HSHVWKMXZQXNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-8-7-19-10(13-8)6-17-5-3-2-4-9(17)11-14-12(18)16-15-11/h7,9H,2-6H2,1H3,(H2,14,15,16,18).
What are the key properties of 3-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one?
3-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 279.37 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidin-2-yl]-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 136543239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).