4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one

C17H20N4O2S — CID 70772394

IUPAC4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one
SMILESCNc1nc(C)c(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)s1
InChIInChI=1S/C17H20N4O2S/c1-11-4-6-13(7-5-11)21-9-8-20(10-14(21)22)16(23)15-12(2)19-17(18-3)24-15/h4-7H,8-10H2,1-3H3,(H,18,19)
InChIKeyHMDIJGSLBNMMJG-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.29
Rot. Bonds3

About 4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one

4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one (PubChem CID 70772394) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one
PubChem CID70772394
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one
SMILESCNc1nc(C)c(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)s1
InChIInChI=1S/C17H20N4O2S/c1-11-4-6-13(7-5-11)21-9-8-20(10-14(21)22)16(23)15-12(2)19-17(18-3)24-15/h4-7H,8-10H2,1-3H3,(H,18,19)
InChIKeyHMDIJGSLBNMMJG-UHFFFAOYSA-N
XLogP2.29
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110386308
4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126851693
N-[5-[4-(4-acetylphenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-4-methylbenzenesulfonamide
CID 16944904
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[4-(2-methylphenyl)-1,4-diazepan-1-yl]methanone
CID 70770639
4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one
CID 134160705
4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70741390
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 70762769
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-(3-methyl-3-phenylpiperidin-1-yl)methanone
CID 72844234
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[(3S)-3-methyl-3-phenylpiperidin-1-yl]methanone
CID 97150010
N-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-2,4-dimethylbenzenesulfonamide
CID 16945182
2-[1-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]pyrrolidin-3-yl]benzoic acid
CID 56912530
4-benzyl-3-ethyl-1-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1,4-diazepan-5-one
CID 56877240

Frequently Asked Questions

What is the IUPAC name of 4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one (CID 70772394) is 4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one is CNc1nc(C)c(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)s1.
What is the InChIKey of 4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is HMDIJGSLBNMMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-11-4-6-13(7-5-11)21-9-8-20(10-14(21)22)16(23)15-12(2)19-17(18-3)24-15/h4-7H,8-10H2,1-3H3,(H,18,19).
What are the key properties of 4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one?
4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 344.44 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70772394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).