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

C21H19N5OS — CID 2475450

IUPACN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1
InChIInChI=1S/C21H19N5OS/c1-13(2)11-19-25-26-21(28-19)24-20(27)16-12-18(14-7-9-22-10-8-14)23-17-6-4-3-5-15(16)17/h3-10,12-13H,11H2,1-2H3,(H,24,26,27)
InChIKeyWZBSWHZBPHRZHB-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.60
Rot. Bonds5

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

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 2475450) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID2475450
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC NameN-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(C)Cc1nnc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1
InChIInChI=1S/C21H19N5OS/c1-13(2)11-19-25-26-21(28-19)24-20(27)16-12-18(14-7-9-22-10-8-14)23-17-6-4-3-5-15(16)17/h3-10,12-13H,11H2,1-2H3,(H,24,26,27)
InChIKeyWZBSWHZBPHRZHB-UHFFFAOYSA-N
XLogP4.60
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-2-{[2-(pyridin-3-yl)quinolin-4-yl]carbonyl}hydrazinecarbothioamide
CID 3604804
N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 4379471
2-(5-methyl-2-thienyl)-N'-[1-(3-pyridinyl)ethylidene]-4-quinolinecarbohydrazide
CID 5454993
N-propyl-2-{[2-(pyridin-3-yl)quinolin-4-yl]carbonyl}hydrazinecarbothioamide
CID 24818520
2-pyridin-2-yl-N-[5-[(1S,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163199
2-pyridin-2-yl-N-[5-[(1R,3R)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163202
2-pyridin-2-yl-N-[5-[(1R,3S)-3-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163204
2-pyridin-2-yl-N-[5-[[4-[[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]methyl]cyclohexyl]methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163425
N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 778154
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 1186276
8-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(pyridin-4-yl)quinoline-4-carboxamide
CID 1261743
4-tert-Butyl-N-[5-(1H-indol-3-ylmethyl)-[1,3,4]thiadiazol-2-yl]-benzamide
CID 1401180

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 2475450) is N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide is CC(C)Cc1nnc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1.
What is the InChIKey of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is WZBSWHZBPHRZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS/c1-13(2)11-19-25-26-21(28-19)24-20(27)16-12-18(14-7-9-22-10-8-14)23-17-6-4-3-5-15(16)17/h3-10,12-13H,11H2,1-2H3,(H,24,26,27).
What are the key properties of N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 2475450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).