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

C14H17NOS — CID 116539918

IUPAC3-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-ol
SMILESCC1(Cc2nc3ccccc3s2)CCC(O)C1
InChIInChI=1S/C14H17NOS/c1-14(7-6-10(16)8-14)9-13-15-11-4-2-3-5-12(11)17-13/h2-5,10,16H,6-9H2,1H3
InChIKeyDNZPJFQXVKRLHA-UHFFFAOYSA-N
MW247.36 g/mol
LogP3.39
Rot. Bonds2

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

3-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-ol (PubChem CID 116539918) has the molecular formula C14H17NOS and a molecular weight of 247.36 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-ol.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-ol
PubChem CID116539918
Molecular FormulaC14H17NOS
Molecular Weight247.36 g/mol
Exact Mass247.10
IUPAC Name3-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-ol
SMILESCC1(Cc2nc3ccccc3s2)CCC(O)C1
InChIInChI=1S/C14H17NOS/c1-14(7-6-10(16)8-14)9-13-15-11-4-2-3-5-12(11)17-13/h2-5,10,16H,6-9H2,1H3
InChIKeyDNZPJFQXVKRLHA-UHFFFAOYSA-N
XLogP3.39
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 ≤ 53.39
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
1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclobutan-1-ol
CID 103564355
1-(1,3-benzothiazol-2-ylmethyl)-4,4-dimethylcycloheptan-1-ol
CID 79818593
1-(1,3-benzothiazol-2-ylmethyl)-4-ethylcyclohexane-1-carboxylic acid
CID 104632347
N-(1,3-benzothiazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 80692058
[1-(1,3-benzothiazol-2-ylmethyl)cyclopropyl]methanamine
CID 104631899
2-(1,3-benzothiazol-2-yl)-1-(1-methoxy-3-methylcyclohexyl)ethanone
CID 116749606
4-(1,3-benzothiazol-2-ylmethyl)piperidin-4-ol
CID 79818430
1-(1,3-benzothiazol-2-ylmethyl)-3-propan-2-ylcyclohexan-1-amine
CID 107450120
1-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclohexane-1-carbonitrile
CID 104632302
3-(1,3-benzothiazol-2-ylmethyl)-2-methylcyclopentan-1-ol
CID 79818705
4-(1,3-benzothiazol-2-ylmethylamino)cyclohexan-1-ol
CID 103603751

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-ol?
The IUPAC name of 3-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-ol (CID 116539918) is 3-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-ol.
What is the SMILES notation for 3-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-ol?
The canonical SMILES for 3-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-ol is CC1(Cc2nc3ccccc3s2)CCC(O)C1.
What is the InChIKey of 3-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-ol?
The InChIKey is DNZPJFQXVKRLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOS/c1-14(7-6-10(16)8-14)9-13-15-11-4-2-3-5-12(11)17-13/h2-5,10,16H,6-9H2,1H3.
What are the key properties of 3-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-ol?
3-(1,3-benzothiazol-2-ylmethyl)-3-methylcyclopentan-1-ol has a molecular weight of 247.36 g/mol, XLogP of 3.39, 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)-3-methylcyclopentan-1-ol is sourced from PubChem (CID 116539918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).