6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C18H15F2N5O2S — CID 133435455

IUPAC6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(NC2CCOC2c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C18H15F2N5O2S/c19-12-3-1-10(7-13(12)20)16-14(5-6-27-16)23-15-4-2-11(8-21-15)17(26)24-18-25-22-9-28-18/h1-4,7-9,14,16H,5-6H2,(H,21,23)(H,24,25,26)
InChIKeyKBFKHAUNOKRANC-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.41
Rot. Bonds5

About 6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133435455) has the molecular formula C18H15F2N5O2S and a molecular weight of 403.41 g/mol. Its IUPAC name is 6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133435455
Molecular FormulaC18H15F2N5O2S
Molecular Weight403.41 g/mol
Exact Mass403.09
IUPAC Name6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(NC2CCOC2c2ccc(F)c(F)c2)nc1
InChIInChI=1S/C18H15F2N5O2S/c19-12-3-1-10(7-13(12)20)16-14(5-6-27-16)23-15-4-2-11(8-21-15)17(26)24-18-25-22-9-28-18/h1-4,7-9,14,16H,5-6H2,(H,21,23)(H,24,25,26)
InChIKeyKBFKHAUNOKRANC-UHFFFAOYSA-N
XLogP3.41
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)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

6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329643
6-[(2-pentan-3-yloxan-4-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133461877
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133448107
6-[(4-methylmorpholin-2-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133343069
6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340452
6-(3-cyclohexylbutan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133356999
6-[(1-cyclohexylpiperidin-3-yl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339180
6-[[1-(2-bromophenyl)pyrrolidin-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339327
[5-chloro-6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133435229
6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339550
6-[[2-(4-chlorophenyl)phenyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133343631

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133435455) is 6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nncs1)c1ccc(NC2CCOC2c2ccc(F)c(F)c2)nc1.
What is the InChIKey of 6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is KBFKHAUNOKRANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N5O2S/c19-12-3-1-10(7-13(12)20)16-14(5-6-27-16)23-15-4-2-11(8-21-15)17(26)24-18-25-22-9-28-18/h1-4,7-9,14,16H,5-6H2,(H,21,23)(H,24,25,26).
What are the key properties of 6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 403.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133435455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).