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

C14H12N4OS2 — CID 135464939

IUPAC4-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCc2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C14H12N4OS2/c15-11-6-12(19)18-14(17-11)21-8-10-7-20-13(16-10)9-4-2-1-3-5-9/h1-7H,8H2,(H3,15,17,18,19)
InChIKeyZANUESALAOPRGS-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.77
Rot. Bonds4

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

4-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 135464939) has the molecular formula C14H12N4OS2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
PubChem CID135464939
Molecular FormulaC14H12N4OS2
Molecular Weight316.41 g/mol
Exact Mass316.05
IUPAC Name4-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(SCc2csc(-c3ccccc3)n2)n1
InChIInChI=1S/C14H12N4OS2/c15-11-6-12(19)18-14(17-11)21-8-10-7-20-13(16-10)9-4-2-1-3-5-9/h1-7H,8H2,(H3,15,17,18,19)
InChIKeyZANUESALAOPRGS-UHFFFAOYSA-N
XLogP2.77
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-Cinnamamido-4-phenylthiazole
CID 690181
N-ethyl-2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetamide
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2-(4-p-Tolyl-thiazol-2-yl)-acetamide
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2-{[(4-Phenyl-1,3-thiazol-2-yl)methyl]thio}ethanohydrazide
CID 2821259
2-(4-Phenyl-1,3-thiazol-2-yl)ethanethioamide
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2-Imino-3-(4-phenyl-1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 1391250
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
CID 712446
4-(4-Fluorophenyl)-2-thiazoleacetamide
CID 737186
N-tert-butyl-2-[[4-(4-fluorophenyl)-2-thiazolyl]thio]acetamide
CID 2503365

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one (CID 135464939) is 4-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(SCc2csc(-c3ccccc3)n2)n1.
What is the InChIKey of 4-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
The InChIKey is ZANUESALAOPRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS2/c15-11-6-12(19)18-14(17-11)21-8-10-7-20-13(16-10)9-4-2-1-3-5-9/h1-7H,8H2,(H3,15,17,18,19).
What are the key properties of 4-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one?
4-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 316.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[(2-phenyl-1,3-thiazol-4-yl)methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135464939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).