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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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).