4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one

C15H16N4O2S — CID 126851693

IUPAC4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one
SMILESCc1nc(C)c(C(=O)N2CCN(c3cccnc3)C(=O)C2)s1
InChIInChI=1S/C15H16N4O2S/c1-10-14(22-11(2)17-10)15(21)18-6-7-19(13(20)9-18)12-4-3-5-16-8-12/h3-5,8H,6-7,9H2,1-2H3
InChIKeyUVVNLEVDTMLFBL-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.64
Rot. Bonds2

About 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one

4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one (PubChem CID 126851693) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one
PubChem CID126851693
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one
SMILESCc1nc(C)c(C(=O)N2CCN(c3cccnc3)C(=O)C2)s1
InChIInChI=1S/C15H16N4O2S/c1-10-14(22-11(2)17-10)15(21)18-6-7-19(13(20)9-18)12-4-3-5-16-8-12/h3-5,8H,6-7,9H2,1-2H3
InChIKeyUVVNLEVDTMLFBL-UHFFFAOYSA-N
XLogP1.64
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one
CID 134160705
4-(pyridine-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855620
1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one
CID 126851696
4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one
CID 70772394
4-(oxolane-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855628
(2,4-dimethyl-1,3-thiazol-5-yl)-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 136551647
3,4-dihydro-1H-isoquinolin-2-yl-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methanone
CID 30134172
4-(4-morpholin-4-ylsulfonylbenzoyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855625
4-[3-(2,6-dichlorophenyl)propanoyl]-1-pyridin-3-ylpiperazin-2-one
CID 131702383
1-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868551
cyclopentyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 36515172
(2,4-dimethyl-1,3-thiazol-5-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581415

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one (CID 126851693) is 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one is Cc1nc(C)c(C(=O)N2CCN(c3cccnc3)C(=O)C2)s1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one?
The InChIKey is UVVNLEVDTMLFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-10-14(22-11(2)17-10)15(21)18-6-7-19(13(20)9-18)12-4-3-5-16-8-12/h3-5,8H,6-7,9H2,1-2H3.
What are the key properties of 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one?
4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one has a molecular weight of 316.39 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one is sourced from PubChem (CID 126851693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).