4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one

C13H14N4O2S2 — CID 134160705

IUPAC4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one
SMILESCc1nc(C)c(C(=O)N2CCN(c3nccs3)C(=O)C2)s1
InChIInChI=1S/C13H14N4O2S2/c1-8-11(21-9(2)15-8)12(19)16-4-5-17(10(18)7-16)13-14-3-6-20-13/h3,6H,4-5,7H2,1-2H3
InChIKeyRIZWXXPFEUQFKF-UHFFFAOYSA-N
MW322.42 g/mol
LogP1.71
Rot. Bonds2

About 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one

4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one (PubChem CID 134160705) has the molecular formula C13H14N4O2S2 and a molecular weight of 322.42 g/mol. Its IUPAC name is 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one
PubChem CID134160705
Molecular FormulaC13H14N4O2S2
Molecular Weight322.42 g/mol
Exact Mass322.06
IUPAC Name4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one
SMILESCc1nc(C)c(C(=O)N2CCN(c3nccs3)C(=O)C2)s1
InChIInChI=1S/C13H14N4O2S2/c1-8-11(21-9(2)15-8)12(19)16-4-5-17(10(18)7-16)13-14-3-6-20-13/h3,6H,4-5,7H2,1-2H3
InChIKeyRIZWXXPFEUQFKF-UHFFFAOYSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126851693
2-methyl-6-[3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]pyridazin-3-one
CID 134160727
2,4-dimethyl-N-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]-1,3-thiazole-5-carboxamide
CID 121144771
N-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 134161199
1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one
CID 134160669
3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
CID 134161663
(2,4-dimethyl-1,3-thiazol-5-yl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845437
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 110270918
cyclopropyl-[4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]methanone
CID 32890593
4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one
CID 70772394
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-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343357

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one?
The IUPAC name of 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one (CID 134160705) is 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one.
What is the SMILES notation for 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one?
The canonical SMILES for 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one is Cc1nc(C)c(C(=O)N2CCN(c3nccs3)C(=O)C2)s1.
What is the InChIKey of 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one?
The InChIKey is RIZWXXPFEUQFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2S2/c1-8-11(21-9(2)15-8)12(19)16-4-5-17(10(18)7-16)13-14-3-6-20-13/h3,6H,4-5,7H2,1-2H3.
What are the key properties of 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one?
4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one has a molecular weight of 322.42 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one is sourced from PubChem (CID 134160705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).