N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide

C22H20N4OS — CID 2914673

IUPACN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
SMILESCC(C)(C)c1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1
InChIInChI=1S/C22H20N4OS/c1-22(2,3)20-25-26-21(28-20)24-19(27)16-13-18(14-9-5-4-6-10-14)23-17-12-8-7-11-15(16)17/h4-13H,1-3H3,(H,24,26,27)
InChIKeyKNVXXUYZHQCJPS-UHFFFAOYSA-N
MW388.50 g/mol
LogP5.30
Rot. Bonds3

About N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide (PubChem CID 2914673) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
PubChem CID2914673
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC NameN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide
SMILESCC(C)(C)c1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1
InChIInChI=1S/C22H20N4OS/c1-22(2,3)20-25-26-21(28-20)24-19(27)16-13-18(14-9-5-4-6-10-14)23-17-12-8-7-11-15(16)17/h4-13H,1-3H3,(H,24,26,27)
InChIKeyKNVXXUYZHQCJPS-UHFFFAOYSA-N
XLogP5.30
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 4379471
2,3-diethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 4884038
2-(2,4-dimethylphenyl)-N-(1H-tetraazol-5-yl)-4-quinolinecarboxamide
CID 845043
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
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 2091388
N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-2-quinolinecarboxamide
CID 2121796
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-quinolinecarboxamide
CID 2441420
2,3-diethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)quinoxaline-6-carboxamide
CID 2446271
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 2475450
N-(5-propyl-1,3,4-thiadiazol-2-yl)-9-acridinamine
CID 2945039
N-(5-neopentyl-1,3,4-thiadiazol-2-yl)-2-phenyl-4-quinolinecarboxamide
CID 4615861

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide (CID 2914673) is N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide is CC(C)(C)c1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1.
What is the InChIKey of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide?
The InChIKey is KNVXXUYZHQCJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-22(2,3)20-25-26-21(28-20)24-19(27)16-13-18(14-9-5-4-6-10-14)23-17-12-8-7-11-15(16)17/h4-13H,1-3H3,(H,24,26,27).
What are the key properties of N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide?
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide has a molecular weight of 388.50 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 2914673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).