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

C12H15N5O3S — CID 166394299

IUPAC4-[4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one
SMILESCn1c(C2CCN(C(=O)c3csc(=O)[nH]3)CC2)n[nH]c1=O
InChIInChI=1S/C12H15N5O3S/c1-16-9(14-15-11(16)19)7-2-4-17(5-3-7)10(18)8-6-21-12(20)13-8/h6-7H,2-5H2,1H3,(H,13,20)(H,15,19)
InChIKeyDMBUAZMKMVGALJ-UHFFFAOYSA-N
MW309.35 g/mol
LogP-0.12
Rot. Bonds2

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

4-[4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one (PubChem CID 166394299) has the molecular formula C12H15N5O3S and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-[4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-[4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one
PubChem CID166394299
Molecular FormulaC12H15N5O3S
Molecular Weight309.35 g/mol
Exact Mass309.09
IUPAC Name4-[4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one
SMILESCn1c(C2CCN(C(=O)c3csc(=O)[nH]3)CC2)n[nH]c1=O
InChIInChI=1S/C12H15N5O3S/c1-16-9(14-15-11(16)19)7-2-4-17(5-3-7)10(18)8-6-21-12(20)13-8/h6-7H,2-5H2,1H3,(H,13,20)(H,15,19)
InChIKeyDMBUAZMKMVGALJ-UHFFFAOYSA-N
XLogP-0.12
TPSA103.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[4-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one
CID 166239971
4-(3-methylpyrrolidine-1-carbonyl)-3H-1,3-thiazol-2-one
CID 127895292
3-cyclobutyl-4-methyl-1H-1,2,4-triazol-5-one
CID 126953775
3-cyclohexyl-4-methyl-1H-1,2,4-triazol-5-one
CID 126953783
4-methyl-3-[1-(2-sulfanylidene-1,3-dihydroimidazole-4-carbonyl)azetidin-3-yl]-1H-1,2,4-triazol-5-one
CID 166294565
6-[4-(5-oxo-4-phenyl-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56708356
3-[1-(3-amino-1H-pyrazole-5-carbonyl)piperidin-4-yl]-4-benzyl-1H-1,2,4-triazol-5-one
CID 56703305
(E)-2-methyl-1-[4-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidin-1-yl]but-2-en-1-one
CID 132969336
4-ethyl-3-[1-(2-methyl-1,3-benzothiazole-5-carbonyl)piperidin-4-yl]-1H-1,2,4-triazol-5-one
CID 50971877
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-4-(4-methylphenyl)-1H-1,2,4-triazol-5-one
CID 91890697
3-[1-(3,5-dimethylbenzoyl)piperidin-4-yl]-4-phenyl-1H-1,2,4-triazol-5-one
CID 91809791
3-[1-[3-(1,5-dimethylpyrazol-4-yl)-1H-pyrazole-5-carbonyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 56713056

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-[4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one (CID 166394299) is 4-[4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-[4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-[4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one is Cn1c(C2CCN(C(=O)c3csc(=O)[nH]3)CC2)n[nH]c1=O.
What is the InChIKey of 4-[4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one?
The InChIKey is DMBUAZMKMVGALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O3S/c1-16-9(14-15-11(16)19)7-2-4-17(5-3-7)10(18)8-6-21-12(20)13-8/h6-7H,2-5H2,1H3,(H,13,20)(H,15,19).
What are the key properties of 4-[4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one?
4-[4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one has a molecular weight of 309.35 g/mol, XLogP of -0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 166394299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).