6-(1,3-benzothiazol-5-ylmethyl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide

C21H14N4O2S — CID 123456240

IUPAC6-(1,3-benzothiazol-5-ylmethyl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2ncco2)nc2ccc(Cc3ccc4scnc4c3)cc12
InChIInChI=1S/C21H14N4O2S/c22-20(26)15-10-18(21-23-5-6-27-21)25-16-3-1-12(8-14(15)16)7-13-2-4-19-17(9-13)24-11-28-19/h1-6,8-11H,7H2,(H2,22,26)
InChIKeyHVJNQFBVPZWVAB-UHFFFAOYSA-N
MW386.44 g/mol
LogP4.19
Rot. Bonds4

About 6-(1,3-benzothiazol-5-ylmethyl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide

6-(1,3-benzothiazol-5-ylmethyl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide (PubChem CID 123456240) has the molecular formula C21H14N4O2S and a molecular weight of 386.44 g/mol. Its IUPAC name is 6-(1,3-benzothiazol-5-ylmethyl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide.

Molecular Properties

Compound Name6-(1,3-benzothiazol-5-ylmethyl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide
PubChem CID123456240
Molecular FormulaC21H14N4O2S
Molecular Weight386.44 g/mol
Exact Mass386.08
IUPAC Name6-(1,3-benzothiazol-5-ylmethyl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide
SMILESNC(=O)c1cc(-c2ncco2)nc2ccc(Cc3ccc4scnc4c3)cc12
InChIInChI=1S/C21H14N4O2S/c22-20(26)15-10-18(21-23-5-6-27-21)25-16-3-1-12(8-14(15)16)7-13-2-4-19-17(9-13)24-11-28-19/h1-6,8-11H,7H2,(H2,22,26)
InChIKeyHVJNQFBVPZWVAB-UHFFFAOYSA-N
XLogP4.19
TPSA94.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(1,3-benzothiazol-5-ylmethyl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 1-[6-(1,3-benzothiazol-5-yl)-2-(furan-2-yl)quinoline-4-carbonyl]piperidine-4-carboxylate
CID 60202401
6-(1,3-benzothiazol-5-yl)-2-(furan-2-yl)-N-pyridin-3-ylquinoline-4-carboxamide
CID 60202475
6-(1,3-benzothiazol-5-yl)-2-(furan-2-yl)-N-methylquinoline-4-carboxamide
CID 60202506
6-(1,3-benzothiazol-5-yl)-2-(furan-2-yl)-N-phenylquinoline-4-carboxamide
CID 60202507
[6-(1,3-Benzothiazol-5-yl)-2-(furan-2-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 60202521
6-(1,3-benzothiazol-5-yl)-N-cyclopropyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 60202522
6-(1,3-benzothiazol-5-yl)-N-cyclohexyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 60202524
6-(1,3-benzothiazol-5-yl)-2-(furan-2-yl)-N-pyridin-4-ylquinoline-4-carboxamide
CID 60202535
Methyl 1-[6-(1,3-benzothiazol-5-yl)-2-(furan-2-yl)quinoline-4-carbonyl]piperidine-3-carboxylate
CID 60202537
6-(1,3-benzothiazol-5-yl)-2-(furan-2-yl)-N-methyl-N-pyridin-3-ylquinoline-4-carboxamide
CID 60202539
6-(1,3-benzothiazol-5-yl)-N-methyl-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide
CID 60202540
6-(1,3-benzothiazol-5-yl)-2-(1,3-oxazol-2-yl)-N-pyridin-3-ylquinoline-4-carboxamide
CID 60202551

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzothiazol-5-ylmethyl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide?
The IUPAC name of 6-(1,3-benzothiazol-5-ylmethyl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide (CID 123456240) is 6-(1,3-benzothiazol-5-ylmethyl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide.
What is the SMILES notation for 6-(1,3-benzothiazol-5-ylmethyl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide?
The canonical SMILES for 6-(1,3-benzothiazol-5-ylmethyl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide is NC(=O)c1cc(-c2ncco2)nc2ccc(Cc3ccc4scnc4c3)cc12.
What is the InChIKey of 6-(1,3-benzothiazol-5-ylmethyl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide?
The InChIKey is HVJNQFBVPZWVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2S/c22-20(26)15-10-18(21-23-5-6-27-21)25-16-3-1-12(8-14(15)16)7-13-2-4-19-17(9-13)24-11-28-19/h1-6,8-11H,7H2,(H2,22,26).
What are the key properties of 6-(1,3-benzothiazol-5-ylmethyl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide?
6-(1,3-benzothiazol-5-ylmethyl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide has a molecular weight of 386.44 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzothiazol-5-ylmethyl)-2-(1,3-oxazol-2-yl)quinoline-4-carboxamide is sourced from PubChem (CID 123456240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).