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

C20H18ClN3O2S — CID 113203215

IUPACN-(5-chloro-2-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCc2nc(-c3ccccn3)sc2C1
InChIInChI=1S/C20H18ClN3O2S/c1-26-17-8-6-13(21)11-16(17)23-19(25)12-5-7-14-18(10-12)27-20(24-14)15-4-2-3-9-22-15/h2-4,6,8-9,11-12H,5,7,10H2,1H3,(H,23,25)
InChIKeyGCUJTRPDUGHBCE-UHFFFAOYSA-N
MW399.90 g/mol
LogP4.61
Rot. Bonds4

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

N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (PubChem CID 113203215) has the molecular formula C20H18ClN3O2S and a molecular weight of 399.90 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
PubChem CID113203215
Molecular FormulaC20H18ClN3O2S
Molecular Weight399.90 g/mol
Exact Mass399.08
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)C1CCc2nc(-c3ccccn3)sc2C1
InChIInChI=1S/C20H18ClN3O2S/c1-26-17-8-6-13(21)11-16(17)23-19(25)12-5-7-14-18(10-12)27-20(24-14)15-4-2-3-9-22-15/h2-4,6,8-9,11-12H,5,7,10H2,1H3,(H,23,25)
InChIKeyGCUJTRPDUGHBCE-UHFFFAOYSA-N
XLogP4.61
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.90
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203078
N-(2-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680779
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-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 26720081
N-(2-phenylethyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203155
N-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202979
N-(3-chloro-2-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203482
2-(2-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxylic acid
CID 82134922
N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152311
N-(5-chloro-2-methoxyphenyl)-1-methylpiperidine-4-carboxamide
CID 95968068
(2R)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 95271416
N-(3,5-dimethylphenyl)-2-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203066

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (CID 113203215) is N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is COc1ccc(Cl)cc1NC(=O)C1CCc2nc(-c3ccccn3)sc2C1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The InChIKey is GCUJTRPDUGHBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2S/c1-26-17-8-6-13(21)11-16(17)23-19(25)12-5-7-14-18(10-12)27-20(24-14)15-4-2-3-9-22-15/h2-4,6,8-9,11-12H,5,7,10H2,1H3,(H,23,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide has a molecular weight of 399.90 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 113203215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).