2-(4-chloro-1,3-thiazol-2-yl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one

C12H8ClN3OS2 — CID 136623433

IUPAC2-(4-chloro-1,3-thiazol-2-yl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
SMILESCc1sccc1-c1cc(=O)[nH]c(-c2nc(Cl)cs2)n1
InChIInChI=1S/C12H8ClN3OS2/c1-6-7(2-3-18-6)8-4-10(17)16-11(14-8)12-15-9(13)5-19-12/h2-5H,1H3,(H,14,16,17)
InChIKeyCSLYGSUSKCJDIK-UHFFFAOYSA-N
MW309.80 g/mol
LogP3.58
Rot. Bonds2

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

2-(4-chloro-1,3-thiazol-2-yl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one (PubChem CID 136623433) has the molecular formula C12H8ClN3OS2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-(4-chloro-1,3-thiazol-2-yl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-chloro-1,3-thiazol-2-yl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
PubChem CID136623433
Molecular FormulaC12H8ClN3OS2
Molecular Weight309.80 g/mol
Exact Mass308.98
IUPAC Name2-(4-chloro-1,3-thiazol-2-yl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one
SMILESCc1sccc1-c1cc(=O)[nH]c(-c2nc(Cl)cs2)n1
InChIInChI=1S/C12H8ClN3OS2/c1-6-7(2-3-18-6)8-4-10(17)16-11(14-8)12-15-9(13)5-19-12/h2-5H,1H3,(H,14,16,17)
InChIKeyCSLYGSUSKCJDIK-UHFFFAOYSA-N
XLogP3.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-thiazol-2-yl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-chloro-1,3-thiazol-2-yl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one (CID 136623433) is 2-(4-chloro-1,3-thiazol-2-yl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-chloro-1,3-thiazol-2-yl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-chloro-1,3-thiazol-2-yl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one is Cc1sccc1-c1cc(=O)[nH]c(-c2nc(Cl)cs2)n1.
What is the InChIKey of 2-(4-chloro-1,3-thiazol-2-yl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one?
The InChIKey is CSLYGSUSKCJDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3OS2/c1-6-7(2-3-18-6)8-4-10(17)16-11(14-8)12-15-9(13)5-19-12/h2-5H,1H3,(H,14,16,17).
What are the key properties of 2-(4-chloro-1,3-thiazol-2-yl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one?
2-(4-chloro-1,3-thiazol-2-yl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one has a molecular weight of 309.80 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-thiazol-2-yl)-4-(2-methylthiophen-3-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136623433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).