2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

C17H11N3O2S — CID 2082785

IUPAC2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESC1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)NC4=NC=CS4
InChIInChI=1S/C17H11N3O2S/c21-16(20-17-18-7-9-23-17)12-10-14(15-6-3-8-22-15)19-13-5-2-1-4-11(12)13/h1-10H,(H,18,20,21)
InChIKeyAONFLTXJKGUEML-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.20
Rot. Bonds3

About 2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide

2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (PubChem CID 2082785) has the molecular formula C17H11N3O2S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
PubChem CID2082785
Molecular FormulaC17H11N3O2S
Molecular Weight321.40 g/mol
Exact Mass321.06
IUPAC Name2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
SMILESC1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)NC4=NC=CS4
InChIInChI=1S/C17H11N3O2S/c21-16(20-17-18-7-9-23-17)12-10-14(15-6-3-8-22-15)19-13-5-2-1-4-11(12)13/h1-10H,(H,18,20,21)
InChIKeyAONFLTXJKGUEML-UHFFFAOYSA-N
XLogP3.20
TPSA96.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity436

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Furan-2-carboxylic acid (4-phenyl-5-pyridin-4-yl-thiazol-2-yl)-amide
CID 72197880
2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 659860
2-(5-methyl-2-furyl)-N-(2-pyridinyl)-4-quinolinecarboxamide
CID 1221931
2-(5-methylfuran-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 1358325
4-(1-benzofuran-2-yl)-N-isoquinolin-3-yl-1,3-thiazol-2-amine
CID 89422315
Sipagladenant
CID 23144148
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2088045
2-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2366866
N-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 2371466
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2406187
5-methoxy-3-methyl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2660566
5-(2-fluorophenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 9115049

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide (CID 2082785) is 2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CO3)C(=O)NC4=NC=CS4.
What is the InChIKey of 2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
The InChIKey is AONFLTXJKGUEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3O2S/c21-16(20-17-18-7-9-23-17)12-10-14(15-6-3-8-22-15)19-13-5-2-1-4-11(12)13/h1-10H,(H,18,20,21).
What are the key properties of 2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide?
2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 2082785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).