N-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)benzamide

C11H10N4OS — CID 131852488

IUPACN-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)benzamide
SMILESNc1[nH]cnc(=S)c1NC(=O)c1ccccc1
InChIInChI=1S/C11H10N4OS/c12-9-8(11(17)14-6-13-9)15-10(16)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H3,12,13,14,17)
InChIKeyCJTQMLZXPQMPSR-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.97
Rot. Bonds2

About N-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)benzamide

N-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)benzamide (PubChem CID 131852488) has the molecular formula C11H10N4OS and a molecular weight of 246.30 g/mol. Its IUPAC name is N-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)benzamide
PubChem CID131852488
Molecular FormulaC11H10N4OS
Molecular Weight246.30 g/mol
Exact Mass246.06
IUPAC NameN-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)benzamide
SMILESNc1[nH]cnc(=S)c1NC(=O)c1ccccc1
InChIInChI=1S/C11H10N4OS/c12-9-8(11(17)14-6-13-9)15-10(16)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H3,12,13,14,17)
InChIKeyCJTQMLZXPQMPSR-UHFFFAOYSA-N
XLogP1.97
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-oxo-4-sulfanyl-1H-pyrimidin-5-yl)benzamide
CID 45086799
4-benzamido-1H-imidazole-5-carboxamide
CID 13223230
N-pyrimidin-2-ylbenzamide
CID 638481
N-acridin-9-ylbenzamide
CID 40532924
N-(4-amino-2,5-dihydroxyphenyl)benzamide
CID 21114775
N-[4-(5-methyl-1H-imidazol-4-yl)phenyl]benzamide
CID 110735677
N-(4-oxo-3H-quinazolin-6-yl)benzamide
CID 174817735
N-pyrimidin-2-ylbenzamide;silver
CID 175574792
N-(5-amino-2-pyridinyl)benzamide;methane
CID 158297207
N-(3,4-diamino-2-pyridinyl)benzamide
CID 91432821
N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)benzamide
CID 5051635
N-(5-amino-6-methyl-2-pyridinyl)benzamide
CID 82330924

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)benzamide?
The IUPAC name of N-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)benzamide (CID 131852488) is N-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)benzamide.
What is the SMILES notation for N-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)benzamide?
The canonical SMILES for N-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)benzamide is Nc1[nH]cnc(=S)c1NC(=O)c1ccccc1.
What is the InChIKey of N-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)benzamide?
The InChIKey is CJTQMLZXPQMPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c12-9-8(11(17)14-6-13-9)15-10(16)7-4-2-1-3-5-7/h1-6H,(H,15,16)(H3,12,13,14,17).
What are the key properties of N-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)benzamide?
N-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)benzamide has a molecular weight of 246.30 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-4-sulfanylidene-1H-pyrimidin-5-yl)benzamide is sourced from PubChem (CID 131852488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).