4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol

C14H18N2OS — CID 103603751

IUPAC4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol
SMILESOC1CCC(NCc2nc3ccccc3s2)CC1
InChIInChI=1S/C14H18N2OS/c17-11-7-5-10(6-8-11)15-9-14-16-12-3-1-2-4-13(12)18-14/h1-4,10-11,15,17H,5-9H2
InChIKeyLSRXMVFMMDDSFS-UHFFFAOYSA-N
MW262.38 g/mol
LogP2.69
Rot. Bonds3

About 4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol

4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol (PubChem CID 103603751) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol
PubChem CID103603751
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol
SMILESOC1CCC(NCc2nc3ccccc3s2)CC1
InChIInChI=1S/C14H18N2OS/c17-11-7-5-10(6-8-11)15-9-14-16-12-3-1-2-4-13(12)18-14/h1-4,10-11,15,17H,5-9H2
InChIKeyLSRXMVFMMDDSFS-UHFFFAOYSA-N
XLogP2.69
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-amine
CID 64501242
N-(1,3-benzothiazol-2-ylmethyl)-4-ethylcycloheptan-1-amine
CID 65082467
N-[[2-(1,3-benzothiazol-2-ylmethyl)phenyl]methyl]cyclopropanamine
CID 79825698
N-(1,3-benzothiazol-2-ylmethyl)-1-ethylpiperidin-4-amine
CID 28665108
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64724022
N-(1,3-benzothiazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 80692058
N-(1,3-benzothiazol-2-ylmethyl)-5-methylthiolan-3-amine
CID 79942790
N-[3-(1,3-benzothiazol-2-yl)-2-methylpropyl]cyclopropanamine
CID 104631791
5-(1,3-benzothiazol-2-ylmethylamino)-1-methylpiperidin-2-one
CID 64656359
N-(1,3-benzothiazol-2-ylmethyl)cyclopropanecarboxamide
CID 18110639
N-(1,3-benzothiazol-2-ylmethyl)bicyclo[2.2.1]heptan-2-amine
CID 61309719
N-(1,3-benzothiazol-2-ylmethyl)-2-chlorocycloheptan-1-amine
CID 104632079

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol?
The IUPAC name of 4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol (CID 103603751) is 4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol is OC1CCC(NCc2nc3ccccc3s2)CC1.
What is the InChIKey of 4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol?
The InChIKey is LSRXMVFMMDDSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2OS/c17-11-7-5-10(6-8-11)15-9-14-16-12-3-1-2-4-13(12)18-14/h1-4,10-11,15,17H,5-9H2.
What are the key properties of 4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol?
4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol has a molecular weight of 262.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol is sourced from PubChem (CID 103603751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).