1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol

C13H15NOS — CID 103564355

IUPAC1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol
SMILESCC1CC(O)(Cc2nc3ccccc3s2)C1
InChIInChI=1S/C13H15NOS/c1-9-6-13(15,7-9)8-12-14-10-4-2-3-5-11(10)16-12/h2-5,9,15H,6-8H2,1H3
InChIKeyUFAQOXFUAHXFAG-UHFFFAOYSA-N
MW233.34 g/mol
LogP3.00
Rot. Bonds2

About 1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol

1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol (PubChem CID 103564355) has the molecular formula C13H15NOS and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol
PubChem CID103564355
Molecular FormulaC13H15NOS
Molecular Weight233.34 g/mol
Exact Mass233.09
IUPAC Name1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol
SMILESCC1CC(O)(Cc2nc3ccccc3s2)C1
InChIInChI=1S/C13H15NOS/c1-9-6-13(15,7-9)8-12-14-10-4-2-3-5-11(10)16-12/h2-5,9,15H,6-8H2,1H3
InChIKeyUFAQOXFUAHXFAG-UHFFFAOYSA-N
XLogP3.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol
CID 79818993
4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol
CID 79818430
1-(1,3-benzothiazol-2-ylmethyl)-4,4-dimethylcycloheptan-1-ol
CID 79818593
3-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-ol
CID 116539918
4-(1,3-benzothiazol-2-ylmethyl)azepan-4-ol
CID 103982930
3-(1,3-benzothiazol-2-ylmethyl)-1-cyclopropylpyrrolidin-3-ol
CID 79818587
1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclohexane-1-carbonitrile
CID 104632302
[1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine
CID 104631899
N-(1,3-benzothiazol-2-ylmethyl)-3,3,5-trimethylcyclohexan-1-amine
CID 43080809
2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol
CID 107186155
N-(1,3-benzothiazol-2-ylmethyl)-3,5-dimethylcyclohexan-1-amine
CID 64724022
2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopropyl)ethanol
CID 66460874

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol?
The IUPAC name of 1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol (CID 103564355) is 1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol.
What is the SMILES notation for 1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol?
The canonical SMILES for 1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol is CC1CC(O)(Cc2nc3ccccc3s2)C1.
What is the InChIKey of 1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol?
The InChIKey is UFAQOXFUAHXFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOS/c1-9-6-13(15,7-9)8-12-14-10-4-2-3-5-11(10)16-12/h2-5,9,15H,6-8H2,1H3.
What are the key properties of 1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol?
1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol has a molecular weight of 233.34 g/mol, XLogP of 3.00, 2 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-ylmethyl)-3-methylcyclobutan-1-ol is sourced from PubChem (CID 103564355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).