N-cycloheptyl-1,3-benzothiazole-6-carboxamide

C15H18N2OS — CID 2092233

IUPACN-cycloheptyl-1,3-benzothiazole-6-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc2ncsc2c1
InChIInChI=1S/C15H18N2OS/c18-15(17-12-5-3-1-2-4-6-12)11-7-8-13-14(9-11)19-10-16-13/h7-10,12H,1-6H2,(H,17,18)
InChIKeyFGSKKZNDRYWWHM-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.75
Rot. Bonds2

About N-cycloheptyl-1,3-benzothiazole-6-carboxamide

N-cycloheptyl-1,3-benzothiazole-6-carboxamide (PubChem CID 2092233) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is N-cycloheptyl-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1,3-benzothiazole-6-carboxamide
PubChem CID2092233
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC NameN-cycloheptyl-1,3-benzothiazole-6-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc2ncsc2c1
InChIInChI=1S/C15H18N2OS/c18-15(17-12-5-3-1-2-4-6-12)11-7-8-13-14(9-11)19-10-16-13/h7-10,12H,1-6H2,(H,17,18)
InChIKeyFGSKKZNDRYWWHM-UHFFFAOYSA-N
XLogP3.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-4-yl-1,3-benzothiazole-6-carboxamide
CID 18337213
N-(4-aminocyclohexyl)-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119477630
N-piperidin-3-yl-1,3-benzothiazole-6-carboxamide;dihydrochloride
CID 119427664
N-[2-(cyclopentylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 16548320
N-[(1R,2R)-2-piperidin-1-ylcyclohexyl]-1,3-benzothiazole-6-carboxamide
CID 70694815
N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
CID 2093191
2-(1,3-benzothiazole-6-carbonylamino)cyclopentane-1-carboxylic acid
CID 64813484
N-[2-(hydroxymethyl)cyclopentyl]-1,3-benzothiazole-6-carboxamide
CID 103774075
N-[2-(cyclopropylcarbamoyl)phenyl]-1,3-benzothiazole-6-carboxamide
CID 9453681
N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]-1,3-benzothiazole-6-carboxamide
CID 90634146
1-(1,3-benzothiazol-6-yl)-3-cyclopentylurea
CID 103616431
N-(1-methylazepan-4-yl)-1,3-benzothiazole-5-carboxamide
CID 142009418

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-cycloheptyl-1,3-benzothiazole-6-carboxamide (CID 2092233) is N-cycloheptyl-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-cycloheptyl-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-cycloheptyl-1,3-benzothiazole-6-carboxamide is O=C(NC1CCCCCC1)c1ccc2ncsc2c1.
What is the InChIKey of N-cycloheptyl-1,3-benzothiazole-6-carboxamide?
The InChIKey is FGSKKZNDRYWWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c18-15(17-12-5-3-1-2-4-6-12)11-7-8-13-14(9-11)19-10-16-13/h7-10,12H,1-6H2,(H,17,18).
What are the key properties of N-cycloheptyl-1,3-benzothiazole-6-carboxamide?
N-cycloheptyl-1,3-benzothiazole-6-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 2092233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).