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

C14H17NOS — CID 79818705

IUPAC3-(1,3-benzothiazol-2-ylmethyl)-2-methylcyclopentan-1-ol
SMILESCC1C(O)CCC1Cc1nc2ccccc2s1
InChIInChI=1S/C14H17NOS/c1-9-10(6-7-12(9)16)8-14-15-11-4-2-3-5-13(11)17-14/h2-5,9-10,12,16H,6-8H2,1H3
InChIKeyAILSMUGCMJQGFJ-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.25
Rot. Bonds2

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

3-(1,3-benzothiazol-2-ylmethyl)-2-methylcyclopentan-1-ol (PubChem CID 79818705) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-ylmethyl)-2-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-ylmethyl)-2-methylcyclopentan-1-ol
PubChem CID79818705
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name3-(1,3-benzothiazol-2-ylmethyl)-2-methylcyclopentan-1-ol
SMILESCC1C(O)CCC1Cc1nc2ccccc2s1
InChIInChI=1S/C14H17NOS/c1-9-10(6-7-12(9)16)8-14-15-11-4-2-3-5-13(11)17-14/h2-5,9-10,12,16H,6-8H2,1H3
InChIKeyAILSMUGCMJQGFJ-UHFFFAOYSA-N
XLogP3.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1,3-benzothiazol-2-ylmethyl)cycloheptyl]-N-methylmethanamine
CID 81025561
2-[(4-bromothiolan-3-yl)methyl]-1,3-benzothiazole
CID 104631746
[2-(1,3-benzothiazol-2-ylmethyl)-4,4-dimethylcyclohexyl]methanamine
CID 81011873
2-(1,3-benzothiazol-2-ylmethyl)-N-propylcyclopentan-1-amine
CID 79818538
2-[(4-bromooxan-3-yl)methyl]-1,3-benzothiazole
CID 106471595
2-(1,3-benzothiazol-2-ylmethyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 104631488
1-(1,3-benzothiazol-2-ylmethyl)-4-methylcyclohexan-1-ol
CID 79818993
2-(pyrrolidin-2-ylmethyl)-1,3-benzothiazole
CID 61370741
1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol
CID 103564355
2-(2-adamantylmethyl)-1,3-benzothiazole
CID 158581770
3-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-ol
CID 116539918
2-(1,3-benzothiazol-2-yl)-1-(2-methylcyclopentyl)ethanol
CID 107186155

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-ylmethyl)-2-methylcyclopentan-1-ol?
The IUPAC name of 3-(1,3-benzothiazol-2-ylmethyl)-2-methylcyclopentan-1-ol (CID 79818705) is 3-(1,3-benzothiazol-2-ylmethyl)-2-methylcyclopentan-1-ol.
What is the SMILES notation for 3-(1,3-benzothiazol-2-ylmethyl)-2-methylcyclopentan-1-ol?
The canonical SMILES for 3-(1,3-benzothiazol-2-ylmethyl)-2-methylcyclopentan-1-ol is CC1C(O)CCC1Cc1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-ylmethyl)-2-methylcyclopentan-1-ol?
The InChIKey is AILSMUGCMJQGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-9-10(6-7-12(9)16)8-14-15-11-4-2-3-5-13(11)17-14/h2-5,9-10,12,16H,6-8H2,1H3.
What are the key properties of 3-(1,3-benzothiazol-2-ylmethyl)-2-methylcyclopentan-1-ol?
3-(1,3-benzothiazol-2-ylmethyl)-2-methylcyclopentan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-ylmethyl)-2-methylcyclopentan-1-ol is sourced from PubChem (CID 79818705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).