benzene;1,3-benzothiazole;cyclohexane

C19H23NS — CID 158485406

IUPACbenzene;1,3-benzothiazole;cyclohexane
SMILESC1CCCCC1.c1ccc2scnc2c1.c1ccccc1
InChIInChI=1S/C7H5NS.C6H12.C6H6/c1-2-4-7-6(3-1)8-5-9-7;2*1-2-4-6-5-3-1/h1-5H;1-6H2;1-6H
InChIKeyHIAOEQXMQOBCDV-UHFFFAOYSA-N
MW297.47 g/mol
LogP6.32
Rot. Bonds

About benzene;1,3-benzothiazole;cyclohexane

benzene;1,3-benzothiazole;cyclohexane (PubChem CID 158485406) has the molecular formula C19H23NS and a molecular weight of 297.47 g/mol. Its IUPAC name is benzene;1,3-benzothiazole;cyclohexane.

Molecular Properties

Compound Namebenzene;1,3-benzothiazole;cyclohexane
PubChem CID158485406
Molecular FormulaC19H23NS
Molecular Weight297.47 g/mol
Exact Mass297.16
IUPAC Namebenzene;1,3-benzothiazole;cyclohexane
SMILESC1CCCCC1.c1ccc2scnc2c1.c1ccccc1
InChIInChI=1S/C7H5NS.C6H12.C6H6/c1-2-4-7-6(3-1)8-5-9-7;2*1-2-4-6-5-3-1/h1-5H;1-6H2;1-6H
InChIKeyHIAOEQXMQOBCDV-UHFFFAOYSA-N
XLogP6.32
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.47
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

octakis(1,3-benzothiazole);sulfane
CID 173324926
1,3-benzothiazole;trihydrochloride
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1,3-benzothiazole;zinc
CID 66588590
azane;1,3-benzothiazole
CID 68815700
calcium;1,3-benzothiazole;hydride
CID 174565212
1,3-benzothiazole;thiohydroxylamine
CID 174771488
1,3-benzothiazole;quinoxaline
CID 139508476
1,3-benzothiazole;ethane-1,2-diol
CID 158729735
1,3-benzothiazole;formamide
CID 160548939
1,3-benzothiazole;isothiocyanic acid
CID 175251975
CID 131664049
CID 131664049
1,3-benzothiazole;sulfuric acid
CID 174851582

Frequently Asked Questions

What is the IUPAC name of benzene;1,3-benzothiazole;cyclohexane?
The IUPAC name of benzene;1,3-benzothiazole;cyclohexane (CID 158485406) is benzene;1,3-benzothiazole;cyclohexane.
What is the SMILES notation for benzene;1,3-benzothiazole;cyclohexane?
The canonical SMILES for benzene;1,3-benzothiazole;cyclohexane is C1CCCCC1.c1ccc2scnc2c1.c1ccccc1.
What is the InChIKey of benzene;1,3-benzothiazole;cyclohexane?
The InChIKey is HIAOEQXMQOBCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS.C6H12.C6H6/c1-2-4-7-6(3-1)8-5-9-7;2*1-2-4-6-5-3-1/h1-5H;1-6H2;1-6H.
What are the key properties of benzene;1,3-benzothiazole;cyclohexane?
benzene;1,3-benzothiazole;cyclohexane has a molecular weight of 297.47 g/mol, XLogP of 6.32, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1,3-benzothiazole;cyclohexane is sourced from PubChem (CID 158485406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).