1-[2-(3-methyl-1,2-thiazol-5-yl)ethynyl]cyclopropan-1-ol

C9H9NOS — CID 164660795

IUPAC1-[2-(3-methyl-1,2-thiazol-5-yl)ethynyl]cyclopropan-1-ol
SMILESCc1cc(C#CC2(O)CC2)sn1
InChIInChI=1S/C9H9NOS/c1-7-6-8(12-10-7)2-3-9(11)4-5-9/h6,11H,4-5H2,1H3
InChIKeyKRXXNMAZLGPPEE-UHFFFAOYSA-N
MW179.24 g/mol
LogP1.33
Rot. Bonds

About 1-[2-(3-methyl-1,2-thiazol-5-yl)ethynyl]cyclopropan-1-ol

1-[2-(3-methyl-1,2-thiazol-5-yl)ethynyl]cyclopropan-1-ol (PubChem CID 164660795) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-[2-(3-methyl-1,2-thiazol-5-yl)ethynyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(3-methyl-1,2-thiazol-5-yl)ethynyl]cyclopropan-1-ol
PubChem CID164660795
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name1-[2-(3-methyl-1,2-thiazol-5-yl)ethynyl]cyclopropan-1-ol
SMILESCc1cc(C#CC2(O)CC2)sn1
InChIInChI=1S/C9H9NOS/c1-7-6-8(12-10-7)2-3-9(11)4-5-9/h6,11H,4-5H2,1H3
InChIKeyKRXXNMAZLGPPEE-UHFFFAOYSA-N
XLogP1.33
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-1,2-thiazol-5-yl)ethynyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(3-methyl-1,2-thiazol-5-yl)ethynyl]cyclopropan-1-ol (CID 164660795) is 1-[2-(3-methyl-1,2-thiazol-5-yl)ethynyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(3-methyl-1,2-thiazol-5-yl)ethynyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(3-methyl-1,2-thiazol-5-yl)ethynyl]cyclopropan-1-ol is Cc1cc(C#CC2(O)CC2)sn1.
What is the InChIKey of 1-[2-(3-methyl-1,2-thiazol-5-yl)ethynyl]cyclopropan-1-ol?
The InChIKey is KRXXNMAZLGPPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-7-6-8(12-10-7)2-3-9(11)4-5-9/h6,11H,4-5H2,1H3.
What are the key properties of 1-[2-(3-methyl-1,2-thiazol-5-yl)ethynyl]cyclopropan-1-ol?
1-[2-(3-methyl-1,2-thiazol-5-yl)ethynyl]cyclopropan-1-ol has a molecular weight of 179.24 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-1,2-thiazol-5-yl)ethynyl]cyclopropan-1-ol is sourced from PubChem (CID 164660795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).