(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol

C11H17NOS — CID 62924311

IUPAC(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol
SMILESCC(C)C1CCc2nc(CO)sc2C1
InChIInChI=1S/C11H17NOS/c1-7(2)8-3-4-9-10(5-8)14-11(6-13)12-9/h7-8,13H,3-6H2,1-2H3
InChIKeyOVNHFXYQHAAMBV-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.40
Rot. Bonds2

About (6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol

(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol (PubChem CID 62924311) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is (6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol.

Molecular Properties

Compound Name(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol
PubChem CID62924311
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol
SMILESCC(C)C1CCc2nc(CO)sc2C1
InChIInChI=1S/C11H17NOS/c1-7(2)8-3-4-9-10(5-8)14-11(6-13)12-9/h7-8,13H,3-6H2,1-2H3
InChIKeyOVNHFXYQHAAMBV-UHFFFAOYSA-N
XLogP2.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol with MolForge

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

Launch Full Analysis

Related Compounds

CID 46784931
CID 46784931
CID 62929838
CID 62929838
CID 119032078
CID 119032078
CID 75438426
CID 75438426
CID 3018726
CID 3018726
CID 79566783
CID 79566783
CID 142184090
CID 142184090
CID 176218082
CID 176218082
CID 176218397
CID 176218397
CID 129737309
CID 129737309
CID 12917748
CID 12917748
CID 12917750
CID 12917750

Frequently Asked Questions

What is the IUPAC name of (6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol?
The IUPAC name of (6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol (CID 62924311) is (6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol.
What is the SMILES notation for (6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol?
The canonical SMILES for (6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol is CC(C)C1CCc2nc(CO)sc2C1.
What is the InChIKey of (6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol?
The InChIKey is OVNHFXYQHAAMBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-7(2)8-3-4-9-10(5-8)14-11(6-13)12-9/h7-8,13H,3-6H2,1-2H3.
What are the key properties of (6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol?
(6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol has a molecular weight of 211.33 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-propan-2-yl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanol is sourced from PubChem (CID 62924311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).