2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

C10H10ClN3O2S — CID 136917806

IUPAC2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ncc(Cl)s2)[nH]c(=O)c1CCO
InChIInChI=1S/C10H10ClN3O2S/c1-5-6(2-3-15)9(16)14-8(13-5)10-12-4-7(11)17-10/h4,15H,2-3H2,1H3,(H,13,14,16)
InChIKeyVSIMZFRTJQNLLN-UHFFFAOYSA-N
MW271.73 g/mol
LogP1.39
Rot. Bonds3

About 2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one

2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 136917806) has the molecular formula C10H10ClN3O2S and a molecular weight of 271.73 g/mol. Its IUPAC name is 2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
PubChem CID136917806
Molecular FormulaC10H10ClN3O2S
Molecular Weight271.73 g/mol
Exact Mass271.02
IUPAC Name2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ncc(Cl)s2)[nH]c(=O)c1CCO
InChIInChI=1S/C10H10ClN3O2S/c1-5-6(2-3-15)9(16)14-8(13-5)10-12-4-7(11)17-10/h4,15H,2-3H2,1H3,(H,13,14,16)
InChIKeyVSIMZFRTJQNLLN-UHFFFAOYSA-N
XLogP1.39
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.73
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one (CID 136917806) is 2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is Cc1nc(-c2ncc(Cl)s2)[nH]c(=O)c1CCO.
What is the InChIKey of 2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is VSIMZFRTJQNLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2S/c1-5-6(2-3-15)9(16)14-8(13-5)10-12-4-7(11)17-10/h4,15H,2-3H2,1H3,(H,13,14,16).
What are the key properties of 2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one?
2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 271.73 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-thiazol-2-yl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136917806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).