2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol

C11H13NOS — CID 83384612

IUPAC2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol
SMILESCc1cccc2sc(C(C)(C)O)nc12
InChIInChI=1S/C11H13NOS/c1-7-5-4-6-8-9(7)12-10(14-8)11(2,3)13/h4-6,13H,1-3H3
InChIKeyIDXADGKMPANCSX-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.83
Rot. Bonds1

About 2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol

2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol (PubChem CID 83384612) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol.

Molecular Properties

Compound Name2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol
PubChem CID83384612
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol
SMILESCc1cccc2sc(C(C)(C)O)nc12
InChIInChI=1S/C11H13NOS/c1-7-5-4-6-8-9(7)12-10(14-8)11(2,3)13/h4-6,13H,1-3H3
InChIKeyIDXADGKMPANCSX-UHFFFAOYSA-N
XLogP2.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-1-(4-methyl-1,3-benzothiazol-2-yl)ethanamine
CID 79146195
bis(4-methyl-1,3-benzothiazol-2-yl)diazene
CID 154148255
2-(2-tert-butyl-1,3-benzothiazol-4-yl)propanoic acid
CID 117413383
2,4-ditert-butyl-1,3-benzothiazole
CID 150117691
3-[(4-methyl-1,3-benzothiazol-2-yl)amino]propanoic acid
CID 82192935
ethane;2-ethyl-4-methyl-1,3-benzothiazole
CID 91212419
N-[(4-methyl-1,3-benzothiazol-2-yl)methyl]ethanamine
CID 79146362
(4-methyl-1,3-benzothiazol-2-yl) acetate
CID 21327492
2-(2,3-difluorophenyl)-4-methyl-1,3-benzothiazole
CID 174756262
2-(1-chloroethyl)-4-methyl-1,3-benzothiazole
CID 79022387
2,2-dimethyl-N-(4-methyl-1,3-benzothiazol-2-yl)-3,3-diphenylpropanamide
CID 59232817
2,2,2-trifluoro-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
CID 34555190

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol?
The IUPAC name of 2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol (CID 83384612) is 2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol.
What is the SMILES notation for 2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol?
The canonical SMILES for 2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol is Cc1cccc2sc(C(C)(C)O)nc12.
What is the InChIKey of 2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol?
The InChIKey is IDXADGKMPANCSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-7-5-4-6-8-9(7)12-10(14-8)11(2,3)13/h4-6,13H,1-3H3.
What are the key properties of 2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol?
2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol has a molecular weight of 207.30 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-benzothiazol-2-yl)propan-2-ol is sourced from PubChem (CID 83384612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).