N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide

C18H14N6O3S2 — CID 55978013

IUPACN-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCS(=O)(=O)Nc1nnc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1
InChIInChI=1S/C18H14N6O3S2/c1-29(26,27)24-18-23-22-17(28-18)21-16(25)13-10-15(11-6-8-19-9-7-11)20-14-5-3-2-4-12(13)14/h2-10H,1H3,(H,23,24)(H,21,22,25)
InChIKeyGYBHAAGUSIFKQO-UHFFFAOYSA-N
MW426.48 g/mol
LogP2.77
Rot. Bonds5

About N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 55978013) has the molecular formula C18H14N6O3S2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID55978013
Molecular FormulaC18H14N6O3S2
Molecular Weight426.48 g/mol
Exact Mass426.06
IUPAC NameN-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCS(=O)(=O)Nc1nnc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1
InChIInChI=1S/C18H14N6O3S2/c1-29(26,27)24-18-23-22-17(28-18)21-16(25)13-10-15(11-6-8-19-9-7-11)20-14-5-3-2-4-12(13)14/h2-10H,1H3,(H,23,24)(H,21,22,25)
InChIKeyGYBHAAGUSIFKQO-UHFFFAOYSA-N
XLogP2.77
TPSA126.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide
CID 50765778
2-(4-methylphenyl)-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)quinoline-4-carboxamide
CID 55810221
2-(4-chlorophenyl)-N-[3-(methanesulfonamido)phenyl]quinoline-4-carboxamide
CID 39204456
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
N-[3-(dimethylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26289344
ethyl 5-methyl-2-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]thiophene-3-carboxylate
CID 17374077
N-(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 43018604
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 8011318
N-(1H-pyrazol-5-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 167753556
N-[4-(propylsulfamoyl)phenyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 21227643
N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-pyridin-4-yl-N-(1H-1,2,4-triazol-5-yl)quinoline-4-carboxamide
CID 30865963

Frequently Asked Questions

What is the IUPAC name of N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 55978013) is N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide is CS(=O)(=O)Nc1nnc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1.
What is the InChIKey of N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is GYBHAAGUSIFKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O3S2/c1-29(26,27)24-18-23-22-17(28-18)21-16(25)13-10-15(11-6-8-19-9-7-11)20-14-5-3-2-4-12(13)14/h2-10H,1H3,(H,23,24)(H,21,22,25).
What are the key properties of N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(methanesulfonamido)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 55978013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).