1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol

C12H15NOS — CID 11806254

IUPAC1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)Cc1nc2ccccc2s1
InChIInChI=1S/C12H15NOS/c1-8(2)10(14)7-12-13-9-5-3-4-6-11(9)15-12/h3-6,8,10,14H,7H2,1-2H3
InChIKeyQYDGONXPYDJFKR-UHFFFAOYSA-N
MW221.32 g/mol
LogP2.86
Rot. Bonds3

About 1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol

1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol (PubChem CID 11806254) has the molecular formula C12H15NOS and a molecular weight of 221.32 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
PubChem CID11806254
Molecular FormulaC12H15NOS
Molecular Weight221.32 g/mol
Exact Mass221.09
IUPAC Name1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)Cc1nc2ccccc2s1
InChIInChI=1S/C12H15NOS/c1-8(2)10(14)7-12-13-9-5-3-4-6-11(9)15-12/h3-6,8,10,14H,7H2,1-2H3
InChIKeyQYDGONXPYDJFKR-UHFFFAOYSA-N
XLogP2.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol 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

1-(1,3-benzothiazol-2-yl)-4-methylpentan-3-ol
CID 104631696
3-(1,3-benzothiazol-2-yl)-1-phenylpropane-1,2-diol
CID 103459476
3-(1,3-benzothiazol-2-yl)-1,1-diethoxypropan-2-ol
CID 79818770
1-(1,3-benzothiazol-2-yl)-3-phenylpentan-2-ol
CID 115823008
1-(1,3-benzothiazol-2-yl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713364
2-(1,3-benzothiazol-2-ylmethyl)-3-methylbutanoic acid
CID 79819156
2-(1,3-benzothiazol-2-yl)-1-phenylethanol
CID 15556945
1-(1,3-benzothiazol-2-yl)-3-(3,5-dimethylphenyl)propan-2-ol
CID 79826149
(2R,3S)-3-[(2R)-1-(1,3-benzothiazol-2-yl)propan-2-yl]sulfanylbutan-2-ol
CID 96958224
2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopropyl)ethanol
CID 66460874
2-(2-phenylbutyl)-1,3-benzothiazole
CID 56999152
1-(1,3-benzothiazol-2-yl)-3-hydroxybutan-2-one
CID 103451335

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol?
The IUPAC name of 1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol (CID 11806254) is 1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol?
The canonical SMILES for 1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol is CC(C)C(O)Cc1nc2ccccc2s1.
What is the InChIKey of 1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol?
The InChIKey is QYDGONXPYDJFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NOS/c1-8(2)10(14)7-12-13-9-5-3-4-6-11(9)15-12/h3-6,8,10,14H,7H2,1-2H3.
What are the key properties of 1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol?
1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol has a molecular weight of 221.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-2-yl)-3-methylbutan-2-ol is sourced from PubChem (CID 11806254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).