4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one

C11H13N5O3S — CID 166239971

IUPAC4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one
SMILESO=C(c1csc(=O)[nH]1)N1CCC(c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C11H13N5O3S/c17-9(7-5-20-11(19)12-7)16-3-1-6(2-4-16)8-13-10(18)15-14-8/h5-6H,1-4H2,(H,12,19)(H2,13,14,15,18)
InChIKeyQNEUMWSKTVBMMJ-UHFFFAOYSA-N
MW295.32 g/mol
LogP-0.13
Rot. Bonds2

About 4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one

4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one (PubChem CID 166239971) has the molecular formula C11H13N5O3S and a molecular weight of 295.32 g/mol. Its IUPAC name is 4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one
PubChem CID166239971
Molecular FormulaC11H13N5O3S
Molecular Weight295.32 g/mol
Exact Mass295.07
IUPAC Name4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one
SMILESO=C(c1csc(=O)[nH]1)N1CCC(c2n[nH]c(=O)[nH]2)CC1
InChIInChI=1S/C11H13N5O3S/c17-9(7-5-20-11(19)12-7)16-3-1-6(2-4-16)8-13-10(18)15-14-8/h5-6H,1-4H2,(H,12,19)(H2,13,14,15,18)
InChIKeyQNEUMWSKTVBMMJ-UHFFFAOYSA-N
XLogP-0.13
TPSA114.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one (CID 166239971) is 4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one is O=C(c1csc(=O)[nH]1)N1CCC(c2n[nH]c(=O)[nH]2)CC1.
What is the InChIKey of 4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one?
The InChIKey is QNEUMWSKTVBMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3S/c17-9(7-5-20-11(19)12-7)16-3-1-6(2-4-16)8-13-10(18)15-14-8/h5-6H,1-4H2,(H,12,19)(H2,13,14,15,18).
What are the key properties of 4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one?
4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one has a molecular weight of 295.32 g/mol, XLogP of -0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 166239971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).