6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C15H15N5O2S — CID 133339550

IUPAC6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCc1cc(CNc2ccc(C(=O)Nc3nncs3)cn2)c(C)o1
InChIInChI=1S/C15H15N5O2S/c1-9-5-12(10(2)22-9)7-17-13-4-3-11(6-16-13)14(21)19-15-20-18-8-23-15/h3-6,8H,7H2,1-2H3,(H,16,17)(H,19,20,21)
InChIKeyQVQBLHBZJJDTSH-UHFFFAOYSA-N
MW329.39 g/mol
LogP3.01
Rot. Bonds5

About 6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133339550) has the molecular formula C15H15N5O2S and a molecular weight of 329.39 g/mol. Its IUPAC name is 6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133339550
Molecular FormulaC15H15N5O2S
Molecular Weight329.39 g/mol
Exact Mass329.09
IUPAC Name6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCc1cc(CNc2ccc(C(=O)Nc3nncs3)cn2)c(C)o1
InChIInChI=1S/C15H15N5O2S/c1-9-5-12(10(2)22-9)7-17-13-4-3-11(6-16-13)14(21)19-15-20-18-8-23-15/h3-6,8H,7H2,1-2H3,(H,16,17)(H,19,20,21)
InChIKeyQVQBLHBZJJDTSH-UHFFFAOYSA-N
XLogP3.01
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 71925375
6-[[2-(4-chlorophenyl)phenyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133343631
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-[3-[(3-methylfuran-2-carbonyl)amino]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340031
6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329643
6-[(2-phenyl-1,3-thiazol-4-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133331329
6-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339514
6-[(4-methylmorpholin-2-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133343069
6-(5,5-dimethylhexan-2-ylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339930
6-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339464

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133339550) is 6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is Cc1cc(CNc2ccc(C(=O)Nc3nncs3)cn2)c(C)o1.
What is the InChIKey of 6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is QVQBLHBZJJDTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c1-9-5-12(10(2)22-9)7-17-13-4-3-11(6-16-13)14(21)19-15-20-18-8-23-15/h3-6,8H,7H2,1-2H3,(H,16,17)(H,19,20,21).
What are the key properties of 6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 329.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133339550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).