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

C16H18N2OS — CID 113202857

IUPACN-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCc1ccc(NC(=O)C2CCc3ncsc3C2)cc1C
InChIInChI=1S/C16H18N2OS/c1-10-3-5-13(7-11(10)2)18-16(19)12-4-6-14-15(8-12)20-9-17-14/h3,5,7,9,12H,4,6,8H2,1-2H3,(H,18,19)
InChIKeyAUJYIGAGSHYESX-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.50
Rot. Bonds2

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

N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (PubChem CID 113202857) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
PubChem CID113202857
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC NameN-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
SMILESCc1ccc(NC(=O)C2CCc3ncsc3C2)cc1C
InChIInChI=1S/C16H18N2OS/c1-10-3-5-13(7-11(10)2)18-16(19)12-4-6-14-15(8-12)20-9-17-14/h3,5,7,9,12H,4,6,8H2,1-2H3,(H,18,19)
InChIKeyAUJYIGAGSHYESX-UHFFFAOYSA-N
XLogP3.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.50
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-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680631
N-(3,4-dimethoxyphenyl)-2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 110680789
N-(3,4-dimethylphenyl)-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole-8-carboxamide
CID 113200799
N-(2-phenoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202896
(1R)-N-(3,4-dimethylphenyl)cyclohex-3-ene-1-carboxamide
CID 8743787
N-(3,4-dimethylphenyl)-1-methylpiperidine-4-carboxamide
CID 95968051
N-[2-(4-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 113202844
1-[4-(4,5,6,7-tetrahydro-1,3-benzothiazole-6-carbonyl)piperazin-1-yl]ethanone
CID 110680555
(6S)-2-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide
CID 95109374
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
N-(3,4-dimethylphenyl)-1-propanoylpiperidine-4-carboxamide
CID 113006432

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide (CID 113202857) is N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is Cc1ccc(NC(=O)C2CCc3ncsc3C2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
The InChIKey is AUJYIGAGSHYESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-10-3-5-13(7-11(10)2)18-16(19)12-4-6-14-15(8-12)20-9-17-14/h3,5,7,9,12H,4,6,8H2,1-2H3,(H,18,19).
What are the key properties of N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide?
N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 113202857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).