N-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide

C18H13N3OS — CID 24594441

IUPACN-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide
SMILESCc1cccc2sc(NC(=O)c3cccc4ncccc34)nc12
InChIInChI=1S/C18H13N3OS/c1-11-5-2-9-15-16(11)20-18(23-15)21-17(22)13-6-3-8-14-12(13)7-4-10-19-14/h2-10H,1H3,(H,20,21,22)
InChIKeyKGASCSGJTJHAAX-UHFFFAOYSA-N
MW319.39 g/mol
LogP4.41
Rot. Bonds2

About N-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide

N-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide (PubChem CID 24594441) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide
PubChem CID24594441
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC NameN-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide
SMILESCc1cccc2sc(NC(=O)c3cccc4ncccc34)nc12
InChIInChI=1S/C18H13N3OS/c1-11-5-2-9-15-16(11)20-18(23-15)21-17(22)13-6-3-8-14-12(13)7-4-10-19-14/h2-10H,1H3,(H,20,21,22)
InChIKeyKGASCSGJTJHAAX-UHFFFAOYSA-N
XLogP4.41
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 18126545
methyl 2-[(4-methyl-1,3-benzothiazol-2-yl)carbamoyl]benzoate
CID 43952216
N-(4-methyl-1,3-benzothiazol-2-yl)quinoxaline-6-carboxamide
CID 8840391
N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]quinoline-5-carboxamide
CID 24621163
3-amino-N-(4-methyl-1,3-benzothiazol-2-yl)pyrazine-2-carboxamide
CID 18138512
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)naphthalene-1-carboxamide
CID 4583356
N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide
CID 24597682
N-(5-phenyl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide
CID 134011955
5-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1H-pyrazole-3-carboxamide
CID 47293501
N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)quinoline-5-carboxamide
CID 43816300
4-acetamido-N-(4-methyl-1,3-benzothiazol-2-yl)benzamide
CID 974126
N-(4-fluoro-1,3-benzothiazol-2-yl)-2-methoxypyridine-3-carboxamide
CID 134709205

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide?
The IUPAC name of N-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide (CID 24594441) is N-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide.
What is the SMILES notation for N-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide?
The canonical SMILES for N-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide is Cc1cccc2sc(NC(=O)c3cccc4ncccc34)nc12.
What is the InChIKey of N-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide?
The InChIKey is KGASCSGJTJHAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c1-11-5-2-9-15-16(11)20-18(23-15)21-17(22)13-6-3-8-14-12(13)7-4-10-19-14/h2-10H,1H3,(H,20,21,22).
What are the key properties of N-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide?
N-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide has a molecular weight of 319.39 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-benzothiazol-2-yl)quinoline-5-carboxamide is sourced from PubChem (CID 24594441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).