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

C20H16N4O2S — CID 60557428

IUPACN-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)c3cc(C)nc4ccccc34)cc2s1
InChIInChI=1S/C20H16N4O2S/c1-11-9-15(14-5-3-4-6-16(14)21-11)19(26)23-13-7-8-17-18(10-13)27-20(24-17)22-12(2)25/h3-10H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyWTCHTDXCUYKRIH-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.36
Rot. Bonds3

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

N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide (PubChem CID 60557428) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide
PubChem CID60557428
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC NameN-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide
SMILESCC(=O)Nc1nc2ccc(NC(=O)c3cc(C)nc4ccccc34)cc2s1
InChIInChI=1S/C20H16N4O2S/c1-11-9-15(14-5-3-4-6-16(14)21-11)19(26)23-13-7-8-17-18(10-13)27-20(24-17)22-12(2)25/h3-10H,1-2H3,(H,23,26)(H,22,24,25)
InChIKeyWTCHTDXCUYKRIH-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-(6-acetamido-1,3-benzothiazol-2-yl)-2-methylquinoline-4-carboxamide
CID 51336725
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-chloro-1-benzothiophene-2-carboxamide
CID 1010853
N-[2-(methanesulfonamido)-1,3-benzothiazol-6-yl]-2-phenylquinoline-4-carboxamide
CID 50765778
N-(2-acetamido-1,3-benzothiazol-5-yl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 46328665
N-(2-acetamido-1,3-benzothiazol-6-yl)-5-chloro-2-fluorobenzamide
CID 55769791
N-(2-acetamido-1,3-benzothiazol-5-yl)-2-methylbenzamide
CID 46328641
N-(6-acetamido-1,3-benzothiazol-2-yl)-2-phenoxybenzamide
CID 4063508
N-(2-acetamido-1,3-benzothiazol-6-yl)-3-bromo-1-methylindole-2-carboxamide
CID 55970996
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(5-methylthiophen-2-yl)quinoline-4-carboxamide
CID 4167956
N-(6-acetamido-1,3-benzothiazol-2-yl)-4-oxochromene-3-carboxamide
CID 4138821
N-(6-acetamido-1,3-benzothiazol-2-yl)-2,4-dimethylbenzamide
CID 4557017
N-(4-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
CID 42021503

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide (CID 60557428) is N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide is CC(=O)Nc1nc2ccc(NC(=O)c3cc(C)nc4ccccc34)cc2s1.
What is the InChIKey of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide?
The InChIKey is WTCHTDXCUYKRIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c1-11-9-15(14-5-3-4-6-16(14)21-11)19(26)23-13-7-8-17-18(10-13)27-20(24-17)22-12(2)25/h3-10H,1-2H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide?
N-(2-acetamido-1,3-benzothiazol-6-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-(2-acetamido-1,3-benzothiazol-6-yl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 60557428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).