1-(1,3-thiazol-2-ylmethyl)cyclopropan-1-ol

C7H9NOS — CID 45121877

IUPAC1-(1,3-thiazol-2-ylmethyl)cyclopropan-1-ol
SMILESOC1(Cc2nccs2)CC1
InChIInChI=1S/C7H9NOS/c9-7(1-2-7)5-6-8-3-4-10-6/h3-4,9H,1-2,5H2
InChIKeyYKRGQIQPFJUPLP-UHFFFAOYSA-N
MW155.22 g/mol
LogP1.21
Rot. Bonds2

About 1-(1,3-thiazol-2-ylmethyl)cyclopropan-1-ol

1-(1,3-thiazol-2-ylmethyl)cyclopropan-1-ol (PubChem CID 45121877) has the molecular formula C7H9NOS and a molecular weight of 155.22 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-ylmethyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(1,3-thiazol-2-ylmethyl)cyclopropan-1-ol
PubChem CID45121877
Molecular FormulaC7H9NOS
Molecular Weight155.22 g/mol
Exact Mass155.04
IUPAC Name1-(1,3-thiazol-2-ylmethyl)cyclopropan-1-ol
SMILESOC1(Cc2nccs2)CC1
InChIInChI=1S/C7H9NOS/c9-7(1-2-7)5-6-8-3-4-10-6/h3-4,9H,1-2,5H2
InChIKeyYKRGQIQPFJUPLP-UHFFFAOYSA-N
XLogP1.21
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-ylmethyl)cyclopropan-1-ol?
The IUPAC name of 1-(1,3-thiazol-2-ylmethyl)cyclopropan-1-ol (CID 45121877) is 1-(1,3-thiazol-2-ylmethyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(1,3-thiazol-2-ylmethyl)cyclopropan-1-ol?
The canonical SMILES for 1-(1,3-thiazol-2-ylmethyl)cyclopropan-1-ol is OC1(Cc2nccs2)CC1.
What is the InChIKey of 1-(1,3-thiazol-2-ylmethyl)cyclopropan-1-ol?
The InChIKey is YKRGQIQPFJUPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NOS/c9-7(1-2-7)5-6-8-3-4-10-6/h3-4,9H,1-2,5H2.
What are the key properties of 1-(1,3-thiazol-2-ylmethyl)cyclopropan-1-ol?
1-(1,3-thiazol-2-ylmethyl)cyclopropan-1-ol has a molecular weight of 155.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-ylmethyl)cyclopropan-1-ol is sourced from PubChem (CID 45121877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).