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

C16H16N4OS — CID 135894942

IUPAC2-[(4-phenyl-1,3-thiazol-2-yl)amino]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2nc(-c3ccccc3)cs2)n1
InChIInChI=1S/C16H16N4OS/c1-2-6-12-9-14(21)19-15(17-12)20-16-18-13(10-22-16)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H2,17,18,19,20,21)
InChIKeyPHWQCUZXLDCICO-UHFFFAOYSA-N
MW312.40 g/mol
LogP3.59
Rot. Bonds5

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

2-[(4-phenyl-1,3-thiazol-2-yl)amino]-4-propyl-1H-pyrimidin-6-one (PubChem CID 135894942) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 2-[(4-phenyl-1,3-thiazol-2-yl)amino]-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(4-phenyl-1,3-thiazol-2-yl)amino]-4-propyl-1H-pyrimidin-6-one
PubChem CID135894942
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name2-[(4-phenyl-1,3-thiazol-2-yl)amino]-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2nc(-c3ccccc3)cs2)n1
InChIInChI=1S/C16H16N4OS/c1-2-6-12-9-14(21)19-15(17-12)20-16-18-13(10-22-16)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H2,17,18,19,20,21)
InChIKeyPHWQCUZXLDCICO-UHFFFAOYSA-N
XLogP3.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methylphenyl)sulfanylmethyl]-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidin-6-one
CID 135894943
2-(4-ethylanilino)-4-propyl-1H-pyrimidin-6-one
CID 135506181
2-(3-hydroxyanilino)-4-propyl-1H-pyrimidin-6-one
CID 135443968
2-[(2Z)-2-benzylidenehydrazinyl]-4-propyl-1H-pyrimidin-6-one
CID 135893842
ethyl 6-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]-1H-pyrimidine-5-carboxylate
CID 139267217
2-(2,5-difluoroanilino)-4-propyl-1H-pyrimidin-6-one
CID 136779303
2-(5-chloro-2-methylanilino)-4-propyl-1H-pyrimidin-6-one
CID 135459608
2-(2-methyl-1,3-thiazol-4-yl)-4-propyl-1H-pyrimidin-6-one
CID 137005901
2-(1,3-benzodioxol-5-ylamino)-4-propyl-1H-pyrimidin-6-one
CID 135764116
N-(3,4-dimethylphenyl)-4-phenyl-1,3-thiazol-2-amine
CID 753967
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide;hydrochloride
CID 163326048
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 135422813

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)amino]-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(4-phenyl-1,3-thiazol-2-yl)amino]-4-propyl-1H-pyrimidin-6-one (CID 135894942) is 2-[(4-phenyl-1,3-thiazol-2-yl)amino]-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(4-phenyl-1,3-thiazol-2-yl)amino]-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(4-phenyl-1,3-thiazol-2-yl)amino]-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(Nc2nc(-c3ccccc3)cs2)n1.
What is the InChIKey of 2-[(4-phenyl-1,3-thiazol-2-yl)amino]-4-propyl-1H-pyrimidin-6-one?
The InChIKey is PHWQCUZXLDCICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c1-2-6-12-9-14(21)19-15(17-12)20-16-18-13(10-22-16)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 2-[(4-phenyl-1,3-thiazol-2-yl)amino]-4-propyl-1H-pyrimidin-6-one?
2-[(4-phenyl-1,3-thiazol-2-yl)amino]-4-propyl-1H-pyrimidin-6-one has a molecular weight of 312.40 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenyl-1,3-thiazol-2-yl)amino]-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135894942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).