1-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]cyclopropan-1-ol

C9H9NOS — CID 164653073

IUPAC1-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]cyclopropan-1-ol
SMILESCc1nc(C#CC2(O)CC2)cs1
InChIInChI=1S/C9H9NOS/c1-7-10-8(6-12-7)2-3-9(11)4-5-9/h6,11H,4-5H2,1H3
InChIKeyFRULSMHEDSSKOH-UHFFFAOYSA-N
MW179.24 g/mol
LogP1.33
Rot. Bonds

About 1-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]cyclopropan-1-ol

1-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]cyclopropan-1-ol (PubChem CID 164653073) has the molecular formula C9H9NOS and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]cyclopropan-1-ol
PubChem CID164653073
Molecular FormulaC9H9NOS
Molecular Weight179.24 g/mol
Exact Mass179.04
IUPAC Name1-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]cyclopropan-1-ol
SMILESCc1nc(C#CC2(O)CC2)cs1
InChIInChI=1S/C9H9NOS/c1-7-10-8(6-12-7)2-3-9(11)4-5-9/h6,11H,4-5H2,1H3
InChIKeyFRULSMHEDSSKOH-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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Related Compounds

2-But-1-ynyl-4-methyl-1,3-thiazole
CID 59571077
4-Methyl-2-pent-1-ynyl-1,3-thiazole
CID 59571079
3-(2-Methyl-1,3-thiazol-4-yl)prop-2-yn-1-ol
CID 68609890
2-(4-Methyl-1,3-thiazol-2-yl)but-3-yn-2-ol
CID 86669573
Trimethyl-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]-lambda4-sulfane
CID 129146354
2,4-Dimethyl-1,3-thiazole;propan-1-ol
CID 143713331
(2S)-2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol
CID 155340582
(2R)-2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol
CID 155341021
(2S)-2-(4-methyl-1,3-thiazol-2-yl)but-3-yn-2-ol;sulfane
CID 161671441
1-(4-Methyl-1,3-thiazol-2-yl)cyclopropan-1-ol
CID 178051240
2-Methyl-1-((4-methylthiazol-2-yl)thio)propan-2-ol
CID 53509346
2-Methyl-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]butan-2-ol
CID 79176475

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]cyclopropan-1-ol?
The IUPAC name of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]cyclopropan-1-ol (CID 164653073) is 1-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]cyclopropan-1-ol?
The canonical SMILES for 1-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]cyclopropan-1-ol is Cc1nc(C#CC2(O)CC2)cs1.
What is the InChIKey of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]cyclopropan-1-ol?
The InChIKey is FRULSMHEDSSKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NOS/c1-7-10-8(6-12-7)2-3-9(11)4-5-9/h6,11H,4-5H2,1H3.
What are the key properties of 1-[2-(2-methyl-1,3-thiazol-4-yl)ethynyl]cyclopropan-1-ol?
1-[2-(2-methyl-1,3-thiazol-4-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-(2-methyl-1,3-thiazol-4-yl)ethynyl]cyclopropan-1-ol is sourced from PubChem (CID 164653073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).