N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide

C16H14N2OS — CID 4571608

IUPACN-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide
SMILESCC(NC(=O)c1ccc2ncsc2c1)c1ccccc1
InChIInChI=1S/C16H14N2OS/c1-11(12-5-3-2-4-6-12)18-16(19)13-7-8-14-15(9-13)20-10-17-14/h2-11H,1H3,(H,18,19)
InChIKeySQWSZDVBIYJYAI-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.79
Rot. Bonds3

About N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide

N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide (PubChem CID 4571608) has the molecular formula C16H14N2OS and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide
PubChem CID4571608
Molecular FormulaC16H14N2OS
Molecular Weight282.37 g/mol
Exact Mass282.08
IUPAC NameN-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide
SMILESCC(NC(=O)c1ccc2ncsc2c1)c1ccccc1
InChIInChI=1S/C16H14N2OS/c1-11(12-5-3-2-4-6-12)18-16(19)13-7-8-14-15(9-13)20-10-17-14/h2-11H,1H3,(H,18,19)
InChIKeySQWSZDVBIYJYAI-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 17474302
N-[1-(2-chlorophenyl)ethyl]-1,3-benzothiazole-6-carboxamide
CID 112759028
3-(1,3-benzothiazole-6-carbonylamino)butanoic acid
CID 43360749
2-chloro-N-[(1R)-1-phenylethyl]-1,3-benzothiazole-6-carboxamide
CID 100787147
N-(1-hydroxy-4-methylpentan-3-yl)-1,3-benzothiazole-6-carboxamide
CID 103782331
N-(1-hydroxy-4-methylpentan-2-yl)-1,3-benzothiazole-6-carboxamide
CID 61245318
2-[[2-(1,3-benzothiazole-6-carbonylamino)-3,3-dimethylbutanoyl]amino]propanoic acid
CID 78030802
3-(2-phenoxyethoxy)-N-(1-phenylethyl)benzamide
CID 4954951
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
N-(2,6-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 16546690
2-chloro-N-[(1R)-1-phenylethyl]-3H-benzimidazole-5-carboxamide
CID 100787163
2-methyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide
CID 110765208

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide (CID 4571608) is N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide is CC(NC(=O)c1ccc2ncsc2c1)c1ccccc1.
What is the InChIKey of N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide?
The InChIKey is SQWSZDVBIYJYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS/c1-11(12-5-3-2-4-6-12)18-16(19)13-7-8-14-15(9-13)20-10-17-14/h2-11H,1H3,(H,18,19).
What are the key properties of N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide?
N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide has a molecular weight of 282.37 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylethyl)-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 4571608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).