5-methyl-3-prop-2-ynoxy-1,2-thiazole

C7H7NOS — CID 118466346

IUPAC5-methyl-3-prop-2-ynoxy-1,2-thiazole
SMILESC#CCOc1cc(C)sn1
InChIInChI=1S/C7H7NOS/c1-3-4-9-7-5-6(2)10-8-7/h1,5H,4H2,2H3
InChIKeyBTILOCDWBGPGQR-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.46
Rot. Bonds2

About 5-methyl-3-prop-2-ynoxy-1,2-thiazole

5-methyl-3-prop-2-ynoxy-1,2-thiazole (PubChem CID 118466346) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 5-methyl-3-prop-2-ynoxy-1,2-thiazole.

Molecular Properties

Compound Name5-methyl-3-prop-2-ynoxy-1,2-thiazole
PubChem CID118466346
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name5-methyl-3-prop-2-ynoxy-1,2-thiazole
SMILESC#CCOc1cc(C)sn1
InChIInChI=1S/C7H7NOS/c1-3-4-9-7-5-6(2)10-8-7/h1,5H,4H2,2H3
InChIKeyBTILOCDWBGPGQR-UHFFFAOYSA-N
XLogP1.46
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.46
H-Bond Donors ≤ 50
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 5-methyl-3-prop-2-ynoxy-1,2-thiazole?
The IUPAC name of 5-methyl-3-prop-2-ynoxy-1,2-thiazole (CID 118466346) is 5-methyl-3-prop-2-ynoxy-1,2-thiazole.
What is the SMILES notation for 5-methyl-3-prop-2-ynoxy-1,2-thiazole?
The canonical SMILES for 5-methyl-3-prop-2-ynoxy-1,2-thiazole is C#CCOc1cc(C)sn1.
What is the InChIKey of 5-methyl-3-prop-2-ynoxy-1,2-thiazole?
The InChIKey is BTILOCDWBGPGQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c1-3-4-9-7-5-6(2)10-8-7/h1,5H,4H2,2H3.
What are the key properties of 5-methyl-3-prop-2-ynoxy-1,2-thiazole?
5-methyl-3-prop-2-ynoxy-1,2-thiazole has a molecular weight of 153.21 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-prop-2-ynoxy-1,2-thiazole is sourced from PubChem (CID 118466346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).