2-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

C18H17N3OS — CID 110680806

IUPAC2-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2c(s1)CC(C(=O)Nc1cccc3cccnc13)CC2
InChIInChI=1S/C18H17N3OS/c1-11-20-14-8-7-13(10-16(14)23-11)18(22)21-15-6-2-4-12-5-3-9-19-17(12)15/h2-6,9,13H,7-8,10H2,1H3,(H,21,22)
InChIKeyXGDYPBLLZJGZNM-UHFFFAOYSA-N
MW323.42 g/mol
LogP3.74
Rot. Bonds2

About 2-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

2-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (PubChem CID 110680806) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound Name2-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
PubChem CID110680806
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name2-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCc1nc2c(s1)CC(C(=O)Nc1cccc3cccnc13)CC2
InChIInChI=1S/C18H17N3OS/c1-11-20-14-8-7-13(10-16(14)23-11)18(22)21-15-6-2-4-12-5-3-9-19-17(12)15/h2-6,9,13H,7-8,10H2,1H3,(H,21,22)
InChIKeyXGDYPBLLZJGZNM-UHFFFAOYSA-N
XLogP3.74
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
N-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202979
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202942
N-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202936
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680812
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
N-(3-chloro-2-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203482
2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 59167670
1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109141882
(2S,4S)-2-methyl-N-quinolin-8-ylpiperidine-4-carboxamide;hydrochloride
CID 120631987
4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide
CID 20895152
2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 135023876

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The IUPAC name of 2-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (CID 110680806) is 2-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for 2-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for 2-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is Cc1nc2c(s1)CC(C(=O)Nc1cccc3cccnc13)CC2.
What is the InChIKey of 2-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The InChIKey is XGDYPBLLZJGZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3OS/c1-11-20-14-8-7-13(10-16(14)23-11)18(22)21-15-6-2-4-12-5-3-9-19-17(12)15/h2-6,9,13H,7-8,10H2,1H3,(H,21,22).
What are the key properties of 2-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
2-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide has a molecular weight of 323.42 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 110680806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).