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

C11H8ClN5OS — CID 136623437

IUPAC2-(4-chloro-1,3-thiazol-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cc(-c2cc(=O)[nH]c(-c3nc(Cl)cs3)n2)cn1
InChIInChI=1S/C11H8ClN5OS/c1-17-4-6(3-13-17)7-2-9(18)16-10(14-7)11-15-8(12)5-19-11/h2-5H,1H3,(H,14,16,18)
InChIKeyUEPLPUOEAVAHAK-UHFFFAOYSA-N
MW293.74 g/mol
LogP1.95
Rot. Bonds2

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

2-(4-chloro-1,3-thiazol-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (PubChem CID 136623437) has the molecular formula C11H8ClN5OS and a molecular weight of 293.74 g/mol. Its IUPAC name is 2-(4-chloro-1,3-thiazol-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-chloro-1,3-thiazol-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
PubChem CID136623437
Molecular FormulaC11H8ClN5OS
Molecular Weight293.74 g/mol
Exact Mass293.01
IUPAC Name2-(4-chloro-1,3-thiazol-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
SMILESCn1cc(-c2cc(=O)[nH]c(-c3nc(Cl)cs3)n2)cn1
InChIInChI=1S/C11H8ClN5OS/c1-17-4-6(3-13-17)7-2-9(18)16-10(14-7)11-15-8(12)5-19-11/h2-5H,1H3,(H,14,16,18)
InChIKeyUEPLPUOEAVAHAK-UHFFFAOYSA-N
XLogP1.95
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.74
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-1,3-thiazol-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-chloro-1,3-thiazol-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one (CID 136623437) is 2-(4-chloro-1,3-thiazol-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-chloro-1,3-thiazol-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-chloro-1,3-thiazol-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is Cn1cc(-c2cc(=O)[nH]c(-c3nc(Cl)cs3)n2)cn1.
What is the InChIKey of 2-(4-chloro-1,3-thiazol-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
The InChIKey is UEPLPUOEAVAHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5OS/c1-17-4-6(3-13-17)7-2-9(18)16-10(14-7)11-15-8(12)5-19-11/h2-5H,1H3,(H,14,16,18).
What are the key properties of 2-(4-chloro-1,3-thiazol-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one?
2-(4-chloro-1,3-thiazol-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one has a molecular weight of 293.74 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-1,3-thiazol-2-yl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136623437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).