2-[cyclopentyl-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]amino]ethanol

C17H28N2OS — CID 75438426

IUPAC2-[cyclopentyl-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]amino]ethanol
SMILESCC1(C)CCc2nc(CN(CCO)C3CCCC3)sc2C1
InChIInChI=1S/C17H28N2OS/c1-17(2)8-7-14-15(11-17)21-16(18-14)12-19(9-10-20)13-5-3-4-6-13/h13,20H,3-12H2,1-2H3
InChIKeyICTMRZBVVRGQFI-UHFFFAOYSA-N
MW308.49 g/mol
LogP3.39
Rot. Bonds5

About 2-[cyclopentyl-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]amino]ethanol

2-[cyclopentyl-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]amino]ethanol (PubChem CID 75438426) has the molecular formula C17H28N2OS and a molecular weight of 308.49 g/mol. Its IUPAC name is 2-[cyclopentyl-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[cyclopentyl-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]amino]ethanol
PubChem CID75438426
Molecular FormulaC17H28N2OS
Molecular Weight308.49 g/mol
Exact Mass308.19
IUPAC Name2-[cyclopentyl-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]amino]ethanol
SMILESCC1(C)CCc2nc(CN(CCO)C3CCCC3)sc2C1
InChIInChI=1S/C17H28N2OS/c1-17(2)8-7-14-15(11-17)21-16(18-14)12-19(9-10-20)13-5-3-4-6-13/h13,20H,3-12H2,1-2H3
InChIKeyICTMRZBVVRGQFI-UHFFFAOYSA-N
XLogP3.39
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[cyclopentyl-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]amino]ethanol 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-[cyclopentyl-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]amino]ethanol?
The IUPAC name of 2-[cyclopentyl-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]amino]ethanol (CID 75438426) is 2-[cyclopentyl-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]amino]ethanol.
What is the SMILES notation for 2-[cyclopentyl-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]amino]ethanol?
The canonical SMILES for 2-[cyclopentyl-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]amino]ethanol is CC1(C)CCc2nc(CN(CCO)C3CCCC3)sc2C1.
What is the InChIKey of 2-[cyclopentyl-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]amino]ethanol?
The InChIKey is ICTMRZBVVRGQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2OS/c1-17(2)8-7-14-15(11-17)21-16(18-14)12-19(9-10-20)13-5-3-4-6-13/h13,20H,3-12H2,1-2H3.
What are the key properties of 2-[cyclopentyl-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]amino]ethanol?
2-[cyclopentyl-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]amino]ethanol has a molecular weight of 308.49 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[(6,6-dimethyl-5,7-dihydro-4H-1,3-benzothiazol-2-yl)methyl]amino]ethanol is sourced from PubChem (CID 75438426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).