2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

C19H15N5OS2 — CID 4569794

IUPAC2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
SMILESCc1nnc(Sc2cc(C(=O)NCc3cccnc3)c3ccccc3n2)s1
InChIInChI=1S/C19H15N5OS2/c1-12-23-24-19(26-12)27-17-9-15(14-6-2-3-7-16(14)22-17)18(25)21-11-13-5-4-8-20-10-13/h2-10H,11H2,1H3,(H,21,25)
InChIKeyHFTCANAQIQVPEU-UHFFFAOYSA-N
MW393.50 g/mol
LogP3.87
Rot. Bonds5

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide (PubChem CID 4569794) has the molecular formula C19H15N5OS2 and a molecular weight of 393.50 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
PubChem CID4569794
Molecular FormulaC19H15N5OS2
Molecular Weight393.50 g/mol
Exact Mass393.07
IUPAC Name2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide
SMILESCc1nnc(Sc2cc(C(=O)NCc3cccnc3)c3ccccc3n2)s1
InChIInChI=1S/C19H15N5OS2/c1-12-23-24-19(26-12)27-17-9-15(14-6-2-3-7-16(14)22-17)18(25)21-11-13-5-4-8-20-10-13/h2-10H,11H2,1H3,(H,21,25)
InChIKeyHFTCANAQIQVPEU-UHFFFAOYSA-N
XLogP3.87
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090770
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-[(3-carbamoylphenyl)methyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 32636575
2-(pyridin-3-ylmethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 117090190
3-methyl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 110852100
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-(2,4-difluorophenyl)sulfanyl-N-[(4-ethylphenyl)methyl]quinoline-4-carboxamide
CID 5218638
5-methyl-2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 17441319
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
N-[2-(4-methylphenyl)ethyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 4107904
5-(3-fluorophenyl)-2-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 71709188
N-(2-phenoxyethyl)-2-(pyridin-3-ylmethylamino)quinoline-4-carboxamide
CID 117090736

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide (CID 4569794) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide is Cc1nnc(Sc2cc(C(=O)NCc3cccnc3)c3ccccc3n2)s1.
What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
The InChIKey is HFTCANAQIQVPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5OS2/c1-12-23-24-19(26-12)27-17-9-15(14-6-2-3-7-16(14)22-17)18(25)21-11-13-5-4-8-20-10-13/h2-10H,11H2,1H3,(H,21,25).
What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide?
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide has a molecular weight of 393.50 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(pyridin-3-ylmethyl)quinoline-4-carboxamide is sourced from PubChem (CID 4569794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).