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

C15H10FN3OS2 — CID 134012243

IUPACN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccc[nH]c1=S
InChIInChI=1S/C15H10FN3OS2/c16-10-4-1-3-9(7-10)12-8-22-15(18-12)19-13(20)11-5-2-6-17-14(11)21/h1-8H,(H,17,21)(H,18,19,20)
InChIKeyLYIDWHNKNZFWPE-UHFFFAOYSA-N
MW331.40 g/mol
LogP4.26
Rot. Bonds3

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

N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 134012243) has the molecular formula C15H10FN3OS2 and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID134012243
Molecular FormulaC15H10FN3OS2
Molecular Weight331.40 g/mol
Exact Mass331.02
IUPAC NameN-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccc[nH]c1=S
InChIInChI=1S/C15H10FN3OS2/c16-10-4-1-3-9(7-10)12-8-22-15(18-12)19-13(20)11-5-2-6-17-14(11)21/h1-8H,(H,17,21)(H,18,19,20)
InChIKeyLYIDWHNKNZFWPE-UHFFFAOYSA-N
XLogP4.26
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(3-fluorophenyl)-1,3-thiazol-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

2-fluoro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 36539454
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylbenzamide
CID 32622565
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 32868667
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 153338918
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 36539472
3-(3-fluorophenyl)-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-5-carboxamide
CID 43068966
2-chloro-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-5-methylsulfonylbenzamide
CID 32623146
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 112760887
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-1-benzofuran-2-carboxamide
CID 46629048
4-fluoro-N-[2-[[4-(3-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 36539746
3-(4-fluorophenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 32623275
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-methylsulfonylbenzamide
CID 32623148

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide (CID 134012243) is N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide is O=C(Nc1nc(-c2cccc(F)c2)cs1)c1ccc[nH]c1=S.
What is the InChIKey of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is LYIDWHNKNZFWPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3OS2/c16-10-4-1-3-9(7-10)12-8-22-15(18-12)19-13(20)11-5-2-6-17-14(11)21/h1-8H,(H,17,21)(H,18,19,20).
What are the key properties of N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide?
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 134012243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).