6-[(1-phenylsulfanylcyclopentyl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C20H21N5OS2 — CID 133339197

IUPAC6-[(1-phenylsulfanylcyclopentyl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(NCC2(Sc3ccccc3)CCCC2)nc1
InChIInChI=1S/C20H21N5OS2/c26-18(24-19-25-23-14-27-19)15-8-9-17(21-12-15)22-13-20(10-4-5-11-20)28-16-6-2-1-3-7-16/h1-3,6-9,12,14H,4-5,10-11,13H2,(H,21,22)(H,24,25,26)
InChIKeyIRRCBBPLUFYNIG-UHFFFAOYSA-N
MW411.56 g/mol
LogP4.70
Rot. Bonds7

About 6-[(1-phenylsulfanylcyclopentyl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[(1-phenylsulfanylcyclopentyl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133339197) has the molecular formula C20H21N5OS2 and a molecular weight of 411.56 g/mol. Its IUPAC name is 6-[(1-phenylsulfanylcyclopentyl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-phenylsulfanylcyclopentyl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133339197
Molecular FormulaC20H21N5OS2
Molecular Weight411.56 g/mol
Exact Mass411.12
IUPAC Name6-[(1-phenylsulfanylcyclopentyl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(NCC2(Sc3ccccc3)CCCC2)nc1
InChIInChI=1S/C20H21N5OS2/c26-18(24-19-25-23-14-27-19)15-8-9-17(21-12-15)22-13-20(10-4-5-11-20)28-16-6-2-1-3-7-16/h1-3,6-9,12,14H,4-5,10-11,13H2,(H,21,22)(H,24,25,26)
InChIKeyIRRCBBPLUFYNIG-UHFFFAOYSA-N
XLogP4.70
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.56
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133331329
6-[(4-hydroxy-2-phenylbutyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340163
6-[[2-hydroxy-2-(4-phenylphenyl)ethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133477193
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
6-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340452
6-[2-(diethylamino)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133381329
6-[(3-hydroxy-4-methylpentyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340358
6-[[2-(4-chlorophenyl)phenyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133343631
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-[[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329498
6-[[naphthalen-1-yl(phenyl)methyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339261
6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 71925375

Frequently Asked Questions

What is the IUPAC name of 6-[(1-phenylsulfanylcyclopentyl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[(1-phenylsulfanylcyclopentyl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133339197) is 6-[(1-phenylsulfanylcyclopentyl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1-phenylsulfanylcyclopentyl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(1-phenylsulfanylcyclopentyl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nncs1)c1ccc(NCC2(Sc3ccccc3)CCCC2)nc1.
What is the InChIKey of 6-[(1-phenylsulfanylcyclopentyl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is IRRCBBPLUFYNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5OS2/c26-18(24-19-25-23-14-27-19)15-8-9-17(21-12-15)22-13-20(10-4-5-11-20)28-16-6-2-1-3-7-16/h1-3,6-9,12,14H,4-5,10-11,13H2,(H,21,22)(H,24,25,26).
What are the key properties of 6-[(1-phenylsulfanylcyclopentyl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[(1-phenylsulfanylcyclopentyl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 411.56 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-phenylsulfanylcyclopentyl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133339197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).