N-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide

C14H16N2OS — CID 99825276

IUPACN-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc2sncc2c1)C1CCCCC1
InChIInChI=1S/C14H16N2OS/c17-14(10-4-2-1-3-5-10)16-12-6-7-13-11(8-12)9-15-18-13/h6-10H,1-5H2,(H,16,17)
InChIKeyWTQANYSWWQQOFD-UHFFFAOYSA-N
MW260.36 g/mol
LogP3.82
Rot. Bonds2

About N-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide

N-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide (PubChem CID 99825276) has the molecular formula C14H16N2OS and a molecular weight of 260.36 g/mol. Its IUPAC name is N-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide
PubChem CID99825276
Molecular FormulaC14H16N2OS
Molecular Weight260.36 g/mol
Exact Mass260.10
IUPAC NameN-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide
SMILESO=C(Nc1ccc2sncc2c1)C1CCCCC1
InChIInChI=1S/C14H16N2OS/c17-14(10-4-2-1-3-5-10)16-12-6-7-13-11(8-12)9-15-18-13/h6-10H,1-5H2,(H,16,17)
InChIKeyWTQANYSWWQQOFD-UHFFFAOYSA-N
XLogP3.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-benzothiazol-5-yl)-1-prop-2-ynylpiperidine-4-carboxamide
CID 75511056
(3S)-N-(1,2-benzothiazol-5-yl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 125048783
tert-butyl 3-(1,2-benzothiazol-5-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 174379920
1-(1,2-benzothiazol-5-yl)-3-cyclopentylthiourea
CID 100558761
(3R)-N-(1,2-benzothiazol-5-yl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 100777636
(3R)-N-(1,2-benzothiazol-5-yl)-1-[(2,6-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 100778359
(3R)-N-(1,2-benzothiazol-5-yl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 100800625
(3S)-N-(1,2-benzothiazol-5-yl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 125062238
(3R)-N-(1,2-benzothiazol-5-yl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779776
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
(E)-N-(1,2-benzothiazol-5-yl)-2-methylbut-2-enamide
CID 129401437
N-(1,2-benzothiazol-5-yl)-2-pyridin-4-ylacetamide
CID 99830867

Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide (CID 99825276) is N-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide is O=C(Nc1ccc2sncc2c1)C1CCCCC1.
What is the InChIKey of N-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide?
The InChIKey is WTQANYSWWQQOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS/c17-14(10-4-2-1-3-5-10)16-12-6-7-13-11(8-12)9-15-18-13/h6-10H,1-5H2,(H,16,17).
What are the key properties of N-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide?
N-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide has a molecular weight of 260.36 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzothiazol-5-yl)cyclohexanecarboxamide is sourced from PubChem (CID 99825276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).