2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-4-carboxamide

C17H11N5O2S — CID 118234198

IUPAC2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccncc2)s1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H11N5O2S/c23-14-9-12(11-3-1-2-4-13(11)19-14)15(24)20-17-22-21-16(25-17)10-5-7-18-8-6-10/h1-9H,(H,19,23)(H,20,22,24)
InChIKeyCOLHTAJZZCFZDN-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.69
Rot. Bonds3

About 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-4-carboxamide

2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-4-carboxamide (PubChem CID 118234198) has the molecular formula C17H11N5O2S and a molecular weight of 349.38 g/mol. Its IUPAC name is 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-4-carboxamide
PubChem CID118234198
Molecular FormulaC17H11N5O2S
Molecular Weight349.38 g/mol
Exact Mass349.06
IUPAC Name2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-4-carboxamide
SMILESO=C(Nc1nnc(-c2ccncc2)s1)c1cc(=O)[nH]c2ccccc12
InChIInChI=1S/C17H11N5O2S/c23-14-9-12(11-3-1-2-4-13(11)19-14)15(24)20-17-22-21-16(25-17)10-5-7-18-8-6-10/h1-9H,(H,19,23)(H,20,22,24)
InChIKeyCOLHTAJZZCFZDN-UHFFFAOYSA-N
XLogP2.69
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 4787571
N-(4-methyl-5-pyridin-2-yl-1,3-thiazol-2-yl)-2-oxo-1H-quinoline-4-carboxamide
CID 31155584
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 7901254
2-oxo-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]-1H-quinoline-4-carboxamide
CID 7901259
N-(4-carbamoylphenyl)-2-oxo-1H-quinoline-4-carboxamide
CID 8840546
2-oxo-N-(2-phenylphenyl)-1H-quinoline-4-carboxamide
CID 2540380
N-(4-bromo-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
CID 102674190
N-(3-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
CID 103892932
N-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 167879450
N-(6-chloro-2-pyridinyl)-2-oxo-1H-quinoline-4-carboxamide
CID 115683240
1-methyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-9H-pyrido[3,4-b]indole-3-carboxamide
CID 6017118
N-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide
CID 134011955

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-4-carboxamide?
The IUPAC name of 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-4-carboxamide (CID 118234198) is 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-4-carboxamide.
What is the SMILES notation for 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-4-carboxamide?
The canonical SMILES for 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-4-carboxamide is O=C(Nc1nnc(-c2ccncc2)s1)c1cc(=O)[nH]c2ccccc12.
What is the InChIKey of 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-4-carboxamide?
The InChIKey is COLHTAJZZCFZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N5O2S/c23-14-9-12(11-3-1-2-4-13(11)19-14)15(24)20-17-22-21-16(25-17)10-5-7-18-8-6-10/h1-9H,(H,19,23)(H,20,22,24).
What are the key properties of 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-4-carboxamide?
2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-4-carboxamide has a molecular weight of 349.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1H-quinoline-4-carboxamide is sourced from PubChem (CID 118234198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).