6-cycloheptyl-1,3-benzothiazole

C14H17NS — CID 173169792

IUPAC6-cycloheptyl-1,3-benzothiazole
SMILESc1nc2ccc(C3CCCCCC3)cc2s1
InChIInChI=1S/C14H17NS/c1-2-4-6-11(5-3-1)12-7-8-13-14(9-12)16-10-15-13/h7-11H,1-6H2
InChIKeyAHFUOVICSOGASF-UHFFFAOYSA-N
MW231.36 g/mol
LogP4.73
Rot. Bonds1

About 6-cycloheptyl-1,3-benzothiazole

6-cycloheptyl-1,3-benzothiazole (PubChem CID 173169792) has the molecular formula C14H17NS and a molecular weight of 231.36 g/mol. Its IUPAC name is 6-cycloheptyl-1,3-benzothiazole.

Molecular Properties

Compound Name6-cycloheptyl-1,3-benzothiazole
PubChem CID173169792
Molecular FormulaC14H17NS
Molecular Weight231.36 g/mol
Exact Mass231.11
IUPAC Name6-cycloheptyl-1,3-benzothiazole
SMILESc1nc2ccc(C3CCCCCC3)cc2s1
InChIInChI=1S/C14H17NS/c1-2-4-6-11(5-3-1)12-7-8-13-14(9-12)16-10-15-13/h7-11H,1-6H2
InChIKeyAHFUOVICSOGASF-UHFFFAOYSA-N
XLogP4.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,3-benzothiazol-6-yl)cyclohexan-1-one
CID 116994056
methane;6-methyl-1,3-benzothiazole;methylcyclohexane
CID 158733044
N-cycloheptyl-1,3-benzothiazole-6-carboxamide
CID 2092233
1,3-benzothiazol-6-yl-[3-(4-chlorophenyl)azepan-1-yl]methanone
CID 121146423
N-[(2E)-cyclooct-2-en-1-yl]-1,3-benzothiazol-6-amine
CID 114227910
N-(cyclohexylmethyl)-1,3-benzothiazole-6-carboxamide
CID 2093191
benzene;1,3-benzothiazole;cyclohexane
CID 158485406
2-(1,3-benzothiazol-6-ylamino)cyclohexane-1-carbonitrile
CID 107804874
6-bromo-1,3-benzothiazole;hydrazine
CID 174420817
2,6-dicyclopentylnaphthalene
CID 91354429
N-[(1-cyclopentylpyrazol-3-yl)methyl]-1,3-benzothiazol-6-amine
CID 103773135
6-cyclopentyl-1,2,3-benzotriazine-4-thiolate
CID 145124972

Frequently Asked Questions

What is the IUPAC name of 6-cycloheptyl-1,3-benzothiazole?
The IUPAC name of 6-cycloheptyl-1,3-benzothiazole (CID 173169792) is 6-cycloheptyl-1,3-benzothiazole.
What is the SMILES notation for 6-cycloheptyl-1,3-benzothiazole?
The canonical SMILES for 6-cycloheptyl-1,3-benzothiazole is c1nc2ccc(C3CCCCCC3)cc2s1.
What is the InChIKey of 6-cycloheptyl-1,3-benzothiazole?
The InChIKey is AHFUOVICSOGASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS/c1-2-4-6-11(5-3-1)12-7-8-13-14(9-12)16-10-15-13/h7-11H,1-6H2.
What are the key properties of 6-cycloheptyl-1,3-benzothiazole?
6-cycloheptyl-1,3-benzothiazole has a molecular weight of 231.36 g/mol, XLogP of 4.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cycloheptyl-1,3-benzothiazole is sourced from PubChem (CID 173169792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).