2-cyclopentyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

C14H21NOS — CID 62089573

IUPAC2-cyclopentyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1(C)Cc2nc(C3CCCC3)sc2C(O)C1
InChIInChI=1S/C14H21NOS/c1-14(2)7-10-12(11(16)8-14)17-13(15-10)9-5-3-4-6-9/h9,11,16H,3-8H2,1-2H3
InChIKeyWRLHYXKDKPNWOE-UHFFFAOYSA-N
MW251.39 g/mol
LogP3.81
Rot. Bonds1

About 2-cyclopentyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol

2-cyclopentyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (PubChem CID 62089573) has the molecular formula C14H21NOS and a molecular weight of 251.39 g/mol. Its IUPAC name is 2-cyclopentyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.

Molecular Properties

Compound Name2-cyclopentyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
PubChem CID62089573
Molecular FormulaC14H21NOS
Molecular Weight251.39 g/mol
Exact Mass251.13
IUPAC Name2-cyclopentyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol
SMILESCC1(C)Cc2nc(C3CCCC3)sc2C(O)C1
InChIInChI=1S/C14H21NOS/c1-14(2)7-10-12(11(16)8-14)17-13(15-10)9-5-3-4-6-9/h9,11,16H,3-8H2,1-2H3
InChIKeyWRLHYXKDKPNWOE-UHFFFAOYSA-N
XLogP3.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The IUPAC name of 2-cyclopentyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol (CID 62089573) is 2-cyclopentyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol.
What is the SMILES notation for 2-cyclopentyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The canonical SMILES for 2-cyclopentyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is CC1(C)Cc2nc(C3CCCC3)sc2C(O)C1.
What is the InChIKey of 2-cyclopentyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
The InChIKey is WRLHYXKDKPNWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOS/c1-14(2)7-10-12(11(16)8-14)17-13(15-10)9-5-3-4-6-9/h9,11,16H,3-8H2,1-2H3.
What are the key properties of 2-cyclopentyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol?
2-cyclopentyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol has a molecular weight of 251.39 g/mol, XLogP of 3.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5,5-dimethyl-6,7-dihydro-4H-1,3-benzothiazol-7-ol is sourced from PubChem (CID 62089573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).