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

C6H5NOS — CID 122163613

IUPAC5-ethynyl-2-methoxy-1,3-thiazole
SMILESC#Cc1cnc(OC)s1
InChIInChI=1S/C6H5NOS/c1-3-5-4-7-6(8-2)9-5/h1,4H,2H3
InChIKeyNXVQFFYXGRCMSL-UHFFFAOYSA-N
MW139.18 g/mol
LogP1.13
Rot. Bonds1

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

5-ethynyl-2-methoxy-1,3-thiazole (PubChem CID 122163613) has the molecular formula C6H5NOS and a molecular weight of 139.18 g/mol. Its IUPAC name is 5-ethynyl-2-methoxy-1,3-thiazole.

Molecular Properties

Compound Name5-ethynyl-2-methoxy-1,3-thiazole
PubChem CID122163613
Molecular FormulaC6H5NOS
Molecular Weight139.18 g/mol
Exact Mass139.01
IUPAC Name5-ethynyl-2-methoxy-1,3-thiazole
SMILESC#Cc1cnc(OC)s1
InChIInChI=1S/C6H5NOS/c1-3-5-4-7-6(8-2)9-5/h1,4H,2H3
InChIKeyNXVQFFYXGRCMSL-UHFFFAOYSA-N
XLogP1.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-Dimethylthiazole
CID 77837
5-Methylthiazole
CID 137980
2-Bromo-5-methyl-1,3-thiazole
CID 21906106
5-Ethynyl-1,3-thiazole
CID 17875447
2-Chloro-5-methyl-1,3-thiazole
CID 10997083
2-(Difluoromethoxy)-5-methylthiazole
CID 15171124
2-Fluoro-5-methyl-1,3-thiazole
CID 20691940
2-Iodo-5-methyl-1,3-thiazole
CID 23154586
5-Methyl-2-(methylthio)thiazole
CID 13378789
5-Ethyl-2-methoxythiazole
CID 12743062
N,N-dimethyl-3-(1,3-thiazol-5-yl)prop-2-yn-1-amine
CID 20071664
Trimethyl-[3-(1,3-thiazol-5-yl)prop-2-ynyl]azanium
CID 20071666

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-methoxy-1,3-thiazole?
The IUPAC name of 5-ethynyl-2-methoxy-1,3-thiazole (CID 122163613) is 5-ethynyl-2-methoxy-1,3-thiazole.
What is the SMILES notation for 5-ethynyl-2-methoxy-1,3-thiazole?
The canonical SMILES for 5-ethynyl-2-methoxy-1,3-thiazole is C#Cc1cnc(OC)s1.
What is the InChIKey of 5-ethynyl-2-methoxy-1,3-thiazole?
The InChIKey is NXVQFFYXGRCMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NOS/c1-3-5-4-7-6(8-2)9-5/h1,4H,2H3.
What are the key properties of 5-ethynyl-2-methoxy-1,3-thiazole?
5-ethynyl-2-methoxy-1,3-thiazole has a molecular weight of 139.18 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-methoxy-1,3-thiazole is sourced from PubChem (CID 122163613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).