N-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide

C11H9N3O2S — CID 45086799

IUPACN-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide
SMILESO=C(Nc1c(S)nc[nH]c1=O)c1ccccc1
InChIInChI=1S/C11H9N3O2S/c15-9(7-4-2-1-3-5-7)14-8-10(16)12-6-13-11(8)17/h1-6H,(H,14,15)(H2,12,13,16,17)
InChIKeyCVCQPTRHOKVVHF-UHFFFAOYSA-N
MW247.28 g/mol
LogP1.31
Rot. Bonds2

About N-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide

N-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide (PubChem CID 45086799) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is N-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide
PubChem CID45086799
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC NameN-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide
SMILESO=C(Nc1c(S)nc[nH]c1=O)c1ccccc1
InChIInChI=1S/C11H9N3O2S/c15-9(7-4-2-1-3-5-7)14-8-10(16)12-6-13-11(8)17/h1-6H,(H,14,15)(H2,12,13,16,17)
InChIKeyCVCQPTRHOKVVHF-UHFFFAOYSA-N
XLogP1.31
TPSA74.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-oxo-3H-quinazolin-6-yl)benzamide
CID 174817735
N-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)benzamide
CID 131852488
N-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)benzamide
CID 135725014
N-(2,6-dimethylphenyl)-4-oxo-3H-quinazoline-6-carboxamide
CID 141277541
N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 55869447
4-benzamido-1H-imidazole-5-carboxamide
CID 13223230
N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]benzamide
CID 110735677
N-(4-amino-6-oxo-1H-pyrimidin-5-yl)-3-nitrobenzamide
CID 135491145
N-pyrimidin-2-ylbenzamide
CID 638481
N-(3-benzamido-2,4,6-trimethylphenyl)benzamide
CID 5084961
N-acridin-9-ylbenzamide
CID 40532924
N-[3-(5-methyl-1H-imidazol-4-yl)phenyl]benzamide
CID 110735763

Frequently Asked Questions

What is the IUPAC name of N-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide?
The IUPAC name of N-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide (CID 45086799) is N-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide.
What is the SMILES notation for N-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide?
The canonical SMILES for N-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide is O=C(Nc1c(S)nc[nH]c1=O)c1ccccc1.
What is the InChIKey of N-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide?
The InChIKey is CVCQPTRHOKVVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c15-9(7-4-2-1-3-5-7)14-8-10(16)12-6-13-11(8)17/h1-6H,(H,14,15)(H2,12,13,16,17).
What are the key properties of N-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide?
N-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide has a molecular weight of 247.28 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide is sourced from PubChem (CID 45086799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).