N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

C14H13ClN2OS — CID 110680631

IUPACN-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCc2ncsc2C1
InChIInChI=1S/C14H13ClN2OS/c15-10-3-1-2-4-11(10)17-14(18)9-5-6-12-13(7-9)19-8-16-12/h1-4,8-9H,5-7H2,(H,17,18)
InChIKeyFLLHTCIWVRAFAI-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.54
Rot. Bonds2

About N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide

N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (PubChem CID 110680631) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
PubChem CID110680631
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC NameN-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESO=C(Nc1ccccc1Cl)C1CCc2ncsc2C1
InChIInChI=1S/C14H13ClN2OS/c15-10-3-1-2-4-11(10)17-14(18)9-5-6-12-13(7-9)19-8-16-12/h1-4,8-9H,5-7H2,(H,17,18)
InChIKeyFLLHTCIWVRAFAI-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680621
N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202896
N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202857
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
N-(2-chlorophenyl)-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 90640412
N-(2-chlorophenyl)thiane-4-carboxamide
CID 110858755
N-(2,5-dichlorophenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202979
N-(2-methoxyphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680779
N-(3-chloro-2-methylphenyl)-2-pyridin-4-yl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113203482
4-N-(2-chlorophenyl)-1-N-(2-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109150860
N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202844
4-N-(2-chlorophenyl)-1-N-(2-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109150938

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (CID 110680631) is N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is O=C(Nc1ccccc1Cl)C1CCc2ncsc2C1.
What is the InChIKey of N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The InChIKey is FLLHTCIWVRAFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c15-10-3-1-2-4-11(10)17-14(18)9-5-6-12-13(7-9)19-8-16-12/h1-4,8-9H,5-7H2,(H,17,18).
What are the key properties of N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide has a molecular weight of 292.79 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 110680631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).