1,6-dimethyl-4-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one

C14H15N5O2S — CID 136540659

IUPAC1,6-dimethyl-4-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one
SMILESCC1CN(C(=O)c2csc(-c3ncccn3)n2)CC(=O)N1C
InChIInChI=1S/C14H15N5O2S/c1-9-6-19(7-11(20)18(9)2)14(21)10-8-22-13(17-10)12-15-4-3-5-16-12/h3-5,8-9H,6-7H2,1-2H3
InChIKeySFJADAQSBXGDAD-UHFFFAOYSA-N
MW317.37 g/mol
LogP0.90
Rot. Bonds2

About 1,6-dimethyl-4-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one

1,6-dimethyl-4-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one (PubChem CID 136540659) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 1,6-dimethyl-4-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-4-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one
PubChem CID136540659
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name1,6-dimethyl-4-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one
SMILESCC1CN(C(=O)c2csc(-c3ncccn3)n2)CC(=O)N1C
InChIInChI=1S/C14H15N5O2S/c1-9-6-19(7-11(20)18(9)2)14(21)10-8-22-13(17-10)12-15-4-3-5-16-12/h3-5,8-9H,6-7H2,1-2H3
InChIKeySFJADAQSBXGDAD-UHFFFAOYSA-N
XLogP0.90
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 124588883
[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 135091402
3-[(3R)-1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidin-3-yl]propanoic acid
CID 124702033
1,6-dimethyl-4-(3-pyridin-2-yloxybenzoyl)piperazin-2-one
CID 146137380
(2,4-dimethylpiperazin-1-yl)-(2-pyridin-2-yl-1,3-thiazol-4-yl)methanone
CID 71877261
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 94589806
(3,5-dimethylpiperidin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 51204784
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 124689404
1-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 126789127
[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 135117582
7-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155918534
(3-methylpiperazin-1-yl)-(2-phenyl-1,3-thiazol-4-yl)methanone;dihydrochloride
CID 119580533

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one?
The IUPAC name of 1,6-dimethyl-4-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one (CID 136540659) is 1,6-dimethyl-4-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 1,6-dimethyl-4-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one?
The canonical SMILES for 1,6-dimethyl-4-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one is CC1CN(C(=O)c2csc(-c3ncccn3)n2)CC(=O)N1C.
What is the InChIKey of 1,6-dimethyl-4-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one?
The InChIKey is SFJADAQSBXGDAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-9-6-19(7-11(20)18(9)2)14(21)10-8-22-13(17-10)12-15-4-3-5-16-12/h3-5,8-9H,6-7H2,1-2H3.
What are the key properties of 1,6-dimethyl-4-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one?
1,6-dimethyl-4-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one has a molecular weight of 317.37 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-(2-pyrimidin-2-yl-1,3-thiazole-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 136540659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).