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

C17H17N3OS2 — CID 135401283

IUPAC2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCc2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C17H17N3OS2/c1-2-6-13-9-15(21)20-17(19-13)23-11-14-10-22-16(18-14)12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3,(H,19,20,21)
InChIKeyWIZSAXJAIFLJOA-UHFFFAOYSA-N
MW343.48 g/mol
LogP4.14
Rot. Bonds6

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

2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one (PubChem CID 135401283) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one
PubChem CID135401283
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC Name2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(SCc2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C17H17N3OS2/c1-2-6-13-9-15(21)20-17(19-13)23-11-14-10-22-16(18-14)12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3,(H,19,20,21)
InChIKeyWIZSAXJAIFLJOA-UHFFFAOYSA-N
XLogP4.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 690181
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Dodecanamide, N-(4-phenyl-2-thiazolyl)-
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Ptach
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2-{[(4-Phenyl-1,3-thiazol-2-yl)methyl]thio}ethanohydrazide
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CID 7152314
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 3244200
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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CID 737186

Frequently Asked Questions

What is the IUPAC name of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one (CID 135401283) is 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(SCc2csc(-c3ccccc3)n2)n1.
What is the InChIKey of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one?
The InChIKey is WIZSAXJAIFLJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-2-6-13-9-15(21)20-17(19-13)23-11-14-10-22-16(18-14)12-7-4-3-5-8-12/h3-5,7-10H,2,6,11H2,1H3,(H,19,20,21).
What are the key properties of 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one?
2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one has a molecular weight of 343.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135401283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).