2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

C14H22N2OS — CID 116774417

IUPAC2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCOC1(c2nc3c(s2)C(N)CCC3)CCCCC1
InChIInChI=1S/C14H22N2OS/c1-17-14(8-3-2-4-9-14)13-16-11-7-5-6-10(15)12(11)18-13/h10H,2-9,15H2,1H3
InChIKeyAFTUBXPYAXMHBB-UHFFFAOYSA-N
MW266.41 g/mol
LogP3.29
Rot. Bonds2

About 2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine

2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (PubChem CID 116774417) has the molecular formula C14H22N2OS and a molecular weight of 266.41 g/mol. Its IUPAC name is 2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.

Molecular Properties

Compound Name2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
PubChem CID116774417
Molecular FormulaC14H22N2OS
Molecular Weight266.41 g/mol
Exact Mass266.15
IUPAC Name2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
SMILESCOC1(c2nc3c(s2)C(N)CCC3)CCCCC1
InChIInChI=1S/C14H22N2OS/c1-17-14(8-3-2-4-9-14)13-16-11-7-5-6-10(15)12(11)18-13/h10H,2-9,15H2,1H3
InChIKeyAFTUBXPYAXMHBB-UHFFFAOYSA-N
XLogP3.29
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The IUPAC name of 2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine (CID 116774417) is 2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine.
What is the SMILES notation for 2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The canonical SMILES for 2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is COC1(c2nc3c(s2)C(N)CCC3)CCCCC1.
What is the InChIKey of 2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
The InChIKey is AFTUBXPYAXMHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2OS/c1-17-14(8-3-2-4-9-14)13-16-11-7-5-6-10(15)12(11)18-13/h10H,2-9,15H2,1H3.
What are the key properties of 2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine?
2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine has a molecular weight of 266.41 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclohexyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine is sourced from PubChem (CID 116774417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).