N-(1-hydroxypropan-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide;methanol

C10H16N2O3S — CID 170638854

IUPACN-(1-hydroxypropan-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide;methanol
SMILESCC(CO)NC(=O)c1ccc[nH]c1=S.CO
InChIInChI=1S/C9H12N2O2S.CH4O/c1-6(5-12)11-8(13)7-3-2-4-10-9(7)14;1-2/h2-4,6,12H,5H2,1H3,(H,10,14)(H,11,13);2H,1H3
InChIKeyLDYFPTLLYQVAGI-UHFFFAOYSA-N
MW244.32 g/mol
LogP0.46
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide;methanol

N-(1-hydroxypropan-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide;methanol (PubChem CID 170638854) has the molecular formula C10H16N2O3S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide;methanol.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide;methanol
PubChem CID170638854
Molecular FormulaC10H16N2O3S
Molecular Weight244.32 g/mol
Exact Mass244.09
IUPAC NameN-(1-hydroxypropan-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide;methanol
SMILESCC(CO)NC(=O)c1ccc[nH]c1=S.CO
InChIInChI=1S/C9H12N2O2S.CH4O/c1-6(5-12)11-8(13)7-3-2-4-10-9(7)14;1-2/h2-4,6,12H,5H2,1H3,(H,10,14)(H,11,13);2H,1H3
InChIKeyLDYFPTLLYQVAGI-UHFFFAOYSA-N
XLogP0.46
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 50.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide;methanol?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide;methanol (CID 170638854) is N-(1-hydroxypropan-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide;methanol.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide;methanol?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide;methanol is CC(CO)NC(=O)c1ccc[nH]c1=S.CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide;methanol?
The InChIKey is LDYFPTLLYQVAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S.CH4O/c1-6(5-12)11-8(13)7-3-2-4-10-9(7)14;1-2/h2-4,6,12H,5H2,1H3,(H,10,14)(H,11,13);2H,1H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide;methanol?
N-(1-hydroxypropan-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide;methanol has a molecular weight of 244.32 g/mol, XLogP of 0.46, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide;methanol is sourced from PubChem (CID 170638854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).