N-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide

C15H15FN2O2S — CID 99715550

IUPACN-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc[nH]c1=S)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2S/c1-9(13(19)10-4-6-11(16)7-5-10)18-14(20)12-3-2-8-17-15(12)21/h2-9,13,19H,1H3,(H,17,21)(H,18,20)/t9-,13+/m0/s1
InChIKeyAQBCUESMEAIKEA-TVQRCGJNSA-N
MW306.36 g/mol
LogP2.74
Rot. Bonds4

About N-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide

N-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 99715550) has the molecular formula C15H15FN2O2S and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID99715550
Molecular FormulaC15H15FN2O2S
Molecular Weight306.36 g/mol
Exact Mass306.08
IUPAC NameN-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1ccc[nH]c1=S)[C@@H](O)c1ccc(F)cc1
InChIInChI=1S/C15H15FN2O2S/c1-9(13(19)10-4-6-11(16)7-5-10)18-14(20)12-3-2-8-17-15(12)21/h2-9,13,19H,1H3,(H,17,21)(H,18,20)/t9-,13+/m0/s1
InChIKeyAQBCUESMEAIKEA-TVQRCGJNSA-N
XLogP2.74
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide 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-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2,5-dimethylbenzamide
CID 75385860
N-[1-(4-propan-2-yloxyphenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 134057769
ethyl (2S)-2-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]propanoate
CID 88537650
N-(1-hydroxy-1-phenylpropan-2-yl)-2-iodobenzamide
CID 54110010
N-[(1S)-1-(2-bromophenyl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 51530681
N-[(2S)-4-phenylbutan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25475198
N-(3-hydroxy-4-methylpentyl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 111461175
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 37316927
N-[1-(oxan-4-yl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 102559752
N-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 97020935
N-[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 111115069
ethyl 4-[(2-sulfanylidene-1H-pyridine-3-carbonyl)amino]pentanoate
CID 102560844

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 99715550) is N-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide is C[C@H](NC(=O)c1ccc[nH]c1=S)[C@@H](O)c1ccc(F)cc1.
What is the InChIKey of N-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is AQBCUESMEAIKEA-TVQRCGJNSA-N. The full InChI is InChI=1S/C15H15FN2O2S/c1-9(13(19)10-4-6-11(16)7-5-10)18-14(20)12-3-2-8-17-15(12)21/h2-9,13,19H,1H3,(H,17,21)(H,18,20)/t9-,13+/m0/s1.
What are the key properties of N-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 306.36 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-1-(4-fluorophenyl)-1-hydroxypropan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 99715550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).