6-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C18H17ClFN5OS — CID 133339464

IUPAC6-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCC(C)(CNc1ccc(C(=O)Nc2nncs2)cn1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H17ClFN5OS/c1-18(2,13-5-4-12(20)7-14(13)19)9-22-15-6-3-11(8-21-15)16(26)24-17-25-23-10-27-17/h3-8,10H,9H2,1-2H3,(H,21,22)(H,24,25,26)
InChIKeyFSJLKGHVZWEEMG-UHFFFAOYSA-N
MW405.89 g/mol
LogP4.37
Rot. Bonds6

About 6-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133339464) has the molecular formula C18H17ClFN5OS and a molecular weight of 405.89 g/mol. Its IUPAC name is 6-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133339464
Molecular FormulaC18H17ClFN5OS
Molecular Weight405.89 g/mol
Exact Mass405.08
IUPAC Name6-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCC(C)(CNc1ccc(C(=O)Nc2nncs2)cn1)c1ccc(F)cc1Cl
InChIInChI=1S/C18H17ClFN5OS/c1-18(2,13-5-4-12(20)7-14(13)19)9-22-15-6-3-11(8-21-15)16(26)24-17-25-23-10-27-17/h3-8,10H,9H2,1-2H3,(H,21,22)(H,24,25,26)
InChIKeyFSJLKGHVZWEEMG-UHFFFAOYSA-N
XLogP4.37
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.89
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-4-fluoro-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 6469162
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
6-[3-(2,4-dichlorophenoxy)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329073
6-[2-(diethylamino)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133381329
6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329643
6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339930
6-[(3-hydroxy-4-methylpentyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340358
6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339550
6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 71925375
6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340452
6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133465099
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-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133339464) is 6-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CC(C)(CNc1ccc(C(=O)Nc2nncs2)cn1)c1ccc(F)cc1Cl.
What is the InChIKey of 6-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is FSJLKGHVZWEEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5OS/c1-18(2,13-5-4-12(20)7-14(13)19)9-22-15-6-3-11(8-21-15)16(26)24-17-25-23-10-27-17/h3-8,10H,9H2,1-2H3,(H,21,22)(H,24,25,26).
What are the key properties of 6-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 405.89 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133339464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).