1-(1,3-benzothiazol-5-yl)cyclopropan-1-ol

C10H9NOS — CID 117282461

IUPAC1-(1,3-benzothiazol-5-yl)cyclopropan-1-ol
SMILESOC1(c2ccc3scnc3c2)CC1
InChIInChI=1S/C10H9NOS/c12-10(3-4-10)7-1-2-9-8(5-7)11-6-13-9/h1-2,5-6,12H,3-4H2
InChIKeyCEKDYLCSYQODOK-UHFFFAOYSA-N
MW191.25 g/mol
LogP2.28
Rot. Bonds1

About 1-(1,3-benzothiazol-5-yl)cyclopropan-1-ol

1-(1,3-benzothiazol-5-yl)cyclopropan-1-ol (PubChem CID 117282461) has the molecular formula C10H9NOS and a molecular weight of 191.25 g/mol. Its IUPAC name is 1-(1,3-benzothiazol-5-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(1,3-benzothiazol-5-yl)cyclopropan-1-ol
PubChem CID117282461
Molecular FormulaC10H9NOS
Molecular Weight191.25 g/mol
Exact Mass191.04
IUPAC Name1-(1,3-benzothiazol-5-yl)cyclopropan-1-ol
SMILESOC1(c2ccc3scnc3c2)CC1
InChIInChI=1S/C10H9NOS/c12-10(3-4-10)7-1-2-9-8(5-7)11-6-13-9/h1-2,5-6,12H,3-4H2
InChIKeyCEKDYLCSYQODOK-UHFFFAOYSA-N
XLogP2.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Benzothiazole-5-carboxylic acid
CID 2735460
[2-(1,3-Benzothiazol-2-yl)phenyl]methanol
CID 4596794
1-(1,3-Benzothiazol-2-yl)-1-(2-methylphenyl)ethanol
CID 52942726
6-(Hydroxymethyl)benzothiazole
CID 17860385
1,3-Benzothiazol-2-yl(diphenyl)methanol
CID 459115
(2-Methylbenzo[d]thiazol-5-yl)methanol
CID 2341868
(E)-1-(1,3-benzothiazol-2-yl)-1,3-diphenylprop-2-en-1-ol
CID 5956139
(1R)-1-(1,3-benzothiazol-2-yl)-1-phenylbut-3-en-1-ol
CID 10945888
1-(1,3-Benzothiazol-2-yl)-1-(4-fluorophenyl)prop-2-en-1-ol
CID 11323610
(4Z)-1,1,1-trifluoro-5,9-dimethyl-2-(2-methyl-1,3-benzothiazol-5-yl)deca-4,8-dien-2-ol
CID 58657370
3-(Benzo[d]thiazol-5-yl)-5-fluorophenol
CID 59282925
4-(Benzo[d]thiazol-5-yl)-2-fluorophenol
CID 59283092

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzothiazol-5-yl)cyclopropan-1-ol?
The IUPAC name of 1-(1,3-benzothiazol-5-yl)cyclopropan-1-ol (CID 117282461) is 1-(1,3-benzothiazol-5-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(1,3-benzothiazol-5-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(1,3-benzothiazol-5-yl)cyclopropan-1-ol is OC1(c2ccc3scnc3c2)CC1.
What is the InChIKey of 1-(1,3-benzothiazol-5-yl)cyclopropan-1-ol?
The InChIKey is CEKDYLCSYQODOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c12-10(3-4-10)7-1-2-9-8(5-7)11-6-13-9/h1-2,5-6,12H,3-4H2.
What are the key properties of 1-(1,3-benzothiazol-5-yl)cyclopropan-1-ol?
1-(1,3-benzothiazol-5-yl)cyclopropan-1-ol has a molecular weight of 191.25 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzothiazol-5-yl)cyclopropan-1-ol is sourced from PubChem (CID 117282461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).