N-(2-ethyl-6-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

C22H23N3OS — CID 113203196

IUPACN-(2-ethyl-6-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCc2nc(-c3ccccn3)sc2C1
InChIInChI=1S/C22H23N3OS/c1-3-15-8-6-7-14(2)20(15)25-21(26)16-10-11-17-19(13-16)27-22(24-17)18-9-4-5-12-23-18/h4-9,12,16H,3,10-11,13H2,1-2H3,(H,25,26)
InChIKeyKCBSEYXNVYRWMX-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.82
Rot. Bonds4

About N-(2-ethyl-6-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

N-(2-ethyl-6-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (PubChem CID 113203196) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
PubChem CID113203196
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC NameN-(2-ethyl-6-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCCc1cccc(C)c1NC(=O)C1CCc2nc(-c3ccccn3)sc2C1
InChIInChI=1S/C22H23N3OS/c1-3-15-8-6-7-14(2)20(15)25-21(26)16-10-11-17-19(13-16)27-22(24-17)18-9-4-5-12-23-18/h4-9,12,16H,3,10-11,13H2,1-2H3,(H,25,26)
InChIKeyKCBSEYXNVYRWMX-UHFFFAOYSA-N
XLogP4.82
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-ethyl-6-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide with MolForge

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Related Compounds

N-(2-phenylethyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203155
N-(1-phenylethyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203142
N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203215
2-methyl-N-(2-methyl-6-propan-2-ylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202942
1-N-cyclopentyl-4-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109145846
N-(3,5-dimethylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203066
methyl 3-[(2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl)amino]benzoate
CID 113203096
2-methyl-N-quinolin-8-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680806
N-(3-chloro-2-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203482
N-(4-ethylphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202936
N-(2-ethyl-6-methylphenyl)-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 113006744
4-N,4-N-diethyl-1-N-(2-ethyl-6-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109149430

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (CID 113203196) is N-(2-ethyl-6-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is CCc1cccc(C)c1NC(=O)C1CCc2nc(-c3ccccn3)sc2C1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The InChIKey is KCBSEYXNVYRWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c1-3-15-8-6-7-14(2)20(15)25-21(26)16-10-11-17-19(13-16)27-22(24-17)18-9-4-5-12-23-18/h4-9,12,16H,3,10-11,13H2,1-2H3,(H,25,26).
What are the key properties of N-(2-ethyl-6-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
N-(2-ethyl-6-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 113203196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).