4-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one

C15H13N3OS2 — CID 135468814

IUPAC4-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCc2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C15H13N3OS2/c1-10-7-13(19)18-15(16-10)21-9-12-8-20-14(17-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,18,19)
InChIKeySESKYOITEZLGQI-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.49
Rot. Bonds4

About 4-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one

4-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 135468814) has the molecular formula C15H13N3OS2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID135468814
Molecular FormulaC15H13N3OS2
Molecular Weight315.42 g/mol
Exact Mass315.05
IUPAC Name4-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(SCc2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C15H13N3OS2/c1-10-7-13(19)18-15(16-10)21-9-12-8-20-14(17-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,18,19)
InChIKeySESKYOITEZLGQI-UHFFFAOYSA-N
XLogP3.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 690181
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Ptach
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4-ethyl-3-methyl-1-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-5-ol
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N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
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N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide
CID 12643450
2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide
CID 44231202
2-(4-Phenyl-1,3-thiazol-2-yl)acetamide
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4-(4-Fluorophenyl)-2-thiazoleacetamide
CID 737186

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one (CID 135468814) is 4-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(SCc2csc(-c3ccccc3)n2)n1.
What is the InChIKey of 4-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is SESKYOITEZLGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS2/c1-10-7-13(19)18-15(16-10)21-9-12-8-20-14(17-12)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,18,19).
What are the key properties of 4-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
4-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 315.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135468814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).