N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide

C20H16N4O2S — CID 51336725

IUPACN-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3cc(C)nc4ccccc34)sc2c1
InChIInChI=1S/C20H16N4O2S/c1-11-9-15(14-5-3-4-6-16(14)21-11)19(26)24-20-23-17-8-7-13(22-12(2)25)10-18(17)27-20/h3-10H,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyCIVXNLYWYKLNAS-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.36
Rot. Bonds3

About N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide

N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide (PubChem CID 51336725) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide
PubChem CID51336725
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide
SMILESCC(=O)Nc1ccc2nc(NC(=O)c3cc(C)nc4ccccc34)sc2c1
InChIInChI=1S/C20H16N4O2S/c1-11-9-15(14-5-3-4-6-16(14)21-11)19(26)24-20-23-17-8-7-13(22-12(2)25)10-18(17)27-20/h3-10H,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyCIVXNLYWYKLNAS-UHFFFAOYSA-N
XLogP4.36
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide
CID 60557428
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 4063508
N-(6-acetamido-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 4557017
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide
CID 4138821
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylsulfonylbenzamide
CID 7267001
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-(trifluoromethyl)benzamide
CID 134046175
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-nitrobenzamide
CID 4622508
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-methoxynaphthalene-2-carboxamide
CID 1092938
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4167956
6-fluoro-2-methyl-N-(6-methyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 108789697
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenylacetamide
CID 954022
N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide
CID 50765778

Frequently Asked Questions

What is the IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide (CID 51336725) is N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide is CC(=O)Nc1ccc2nc(NC(=O)c3cc(C)nc4ccccc34)sc2c1.
What is the InChIKey of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide?
The InChIKey is CIVXNLYWYKLNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-11-9-15(14-5-3-4-6-16(14)21-11)19(26)24-20-23-17-8-7-13(22-12(2)25)10-18(17)27-20/h3-10H,1-2H3,(H,22,25)(H,23,24,26).
What are the key properties of N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide?
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide has a molecular weight of 376.44 g/mol, XLogP of 4.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 51336725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).