4-ethynyl-1,3-thiazole;methane

C6H7NS — CID 158779504

IUPAC4-ethynyl-1,3-thiazole;methane
SMILESC.C#Cc1cscn1
InChIInChI=1S/C5H3NS.CH4/c1-2-5-3-7-4-6-5;/h1,3-4H;1H4
InChIKeyIQWUQLIGQWARDY-UHFFFAOYSA-N
MW125.20 g/mol
LogP1.76
Rot. Bonds

About 4-ethynyl-1,3-thiazole;methane

4-ethynyl-1,3-thiazole;methane (PubChem CID 158779504) has the molecular formula C6H7NS and a molecular weight of 125.20 g/mol. Its IUPAC name is 4-ethynyl-1,3-thiazole;methane.

Molecular Properties

Compound Name4-ethynyl-1,3-thiazole;methane
PubChem CID158779504
Molecular FormulaC6H7NS
Molecular Weight125.20 g/mol
Exact Mass125.03
IUPAC Name4-ethynyl-1,3-thiazole;methane
SMILESC.C#Cc1cscn1
InChIInChI=1S/C5H3NS.CH4/c1-2-5-3-7-4-6-5;/h1,3-4H;1H4
InChIKeyIQWUQLIGQWARDY-UHFFFAOYSA-N
XLogP1.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.20
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-thiazol-4-yl)prop-2-ynoic acid
CID 64535385
ethane;2-(1,3-thiazol-4-yl)ethynyl thiohypoiodite
CID 177186078
2-methyl-4-[2-(1,3-thiazol-4-yl)ethynyl]-1,3-thiazole
CID 70088513
1,3-thiazol-4-ylphosphane
CID 23047202
4-[2-(3-bromophenyl)ethynyl]-1,3-thiazole
CID 59772767
N-(1,3-thiazol-4-yl)prop-2-ynamide
CID 45121900
ethane;4-methyl-1,3-thiazole
CID 67067033
4-methylsulfinyl-1,3-thiazole
CID 154436442
3-amino-3-(1,3-thiazol-4-yl)prop-1-en-1-one
CID 91123962
N-(1,3-thiazol-4-ylmethyl)pent-4-yn-2-amine
CID 115660275
4-(fluoromethyl)-1,3-thiazole
CID 76551954
1,3-thiazol-4-ylmethanediol
CID 59870088

Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-1,3-thiazole;methane?
The IUPAC name of 4-ethynyl-1,3-thiazole;methane (CID 158779504) is 4-ethynyl-1,3-thiazole;methane.
What is the SMILES notation for 4-ethynyl-1,3-thiazole;methane?
The canonical SMILES for 4-ethynyl-1,3-thiazole;methane is C.C#Cc1cscn1.
What is the InChIKey of 4-ethynyl-1,3-thiazole;methane?
The InChIKey is IQWUQLIGQWARDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3NS.CH4/c1-2-5-3-7-4-6-5;/h1,3-4H;1H4.
What are the key properties of 4-ethynyl-1,3-thiazole;methane?
4-ethynyl-1,3-thiazole;methane has a molecular weight of 125.20 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-1,3-thiazole;methane is sourced from PubChem (CID 158779504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).