2-ethynyl-4-methoxy-5-methyl-1,3-thiazole

C7H7NOS — CID 146155796

IUPAC2-ethynyl-4-methoxy-5-methyl-1,3-thiazole
SMILESC#Cc1nc(OC)c(C)s1
InChIInChI=1S/C7H7NOS/c1-4-6-8-7(9-3)5(2)10-6/h1H,2-3H3
InChIKeyPASZJPDMHBTTCA-UHFFFAOYSA-N
MW153.21 g/mol
LogP1.44
Rot. Bonds1

About 2-ethynyl-4-methoxy-5-methyl-1,3-thiazole

2-ethynyl-4-methoxy-5-methyl-1,3-thiazole (PubChem CID 146155796) has the molecular formula C7H7NOS and a molecular weight of 153.21 g/mol. Its IUPAC name is 2-ethynyl-4-methoxy-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-ethynyl-4-methoxy-5-methyl-1,3-thiazole
PubChem CID146155796
Molecular FormulaC7H7NOS
Molecular Weight153.21 g/mol
Exact Mass153.02
IUPAC Name2-ethynyl-4-methoxy-5-methyl-1,3-thiazole
SMILESC#Cc1nc(OC)c(C)s1
InChIInChI=1S/C7H7NOS/c1-4-6-8-7(9-3)5(2)10-6/h1H,2-3H3
InChIKeyPASZJPDMHBTTCA-UHFFFAOYSA-N
XLogP1.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 51.44
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 2-ethynyl-4-methoxy-5-methyl-1,3-thiazole?
The IUPAC name of 2-ethynyl-4-methoxy-5-methyl-1,3-thiazole (CID 146155796) is 2-ethynyl-4-methoxy-5-methyl-1,3-thiazole.
What is the SMILES notation for 2-ethynyl-4-methoxy-5-methyl-1,3-thiazole?
The canonical SMILES for 2-ethynyl-4-methoxy-5-methyl-1,3-thiazole is C#Cc1nc(OC)c(C)s1.
What is the InChIKey of 2-ethynyl-4-methoxy-5-methyl-1,3-thiazole?
The InChIKey is PASZJPDMHBTTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS/c1-4-6-8-7(9-3)5(2)10-6/h1H,2-3H3.
What are the key properties of 2-ethynyl-4-methoxy-5-methyl-1,3-thiazole?
2-ethynyl-4-methoxy-5-methyl-1,3-thiazole has a molecular weight of 153.21 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-4-methoxy-5-methyl-1,3-thiazole is sourced from PubChem (CID 146155796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).