2-methyl-1-methylidene-5H-1,2-thiazole

C5H9NS — CID 87152525

IUPAC2-methyl-1-methylidene-5H-1,2-thiazole
SMILESC=S1CC=CN1C
InChIInChI=1S/C5H9NS/c1-6-4-3-5-7(6)2/h3-4H,2,5H2,1H3
InChIKeyFBJRJQBPGBVYAA-UHFFFAOYSA-N
MW115.20 g/mol
LogP1.06
Rot. Bonds

About 2-methyl-1-methylidene-5H-1,2-thiazole

2-methyl-1-methylidene-5H-1,2-thiazole (PubChem CID 87152525) has the molecular formula C5H9NS and a molecular weight of 115.20 g/mol. Its IUPAC name is 2-methyl-1-methylidene-5H-1,2-thiazole.

Molecular Properties

Compound Name2-methyl-1-methylidene-5H-1,2-thiazole
PubChem CID87152525
Molecular FormulaC5H9NS
Molecular Weight115.20 g/mol
Exact Mass115.05
IUPAC Name2-methyl-1-methylidene-5H-1,2-thiazole
SMILESC=S1CC=CN1C
InChIInChI=1S/C5H9NS/c1-6-4-3-5-7(6)2/h3-4H,2,5H2,1H3
InChIKeyFBJRJQBPGBVYAA-UHFFFAOYSA-N
XLogP1.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.20
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylidene-5H-1,2-thiazole?
The IUPAC name of 2-methyl-1-methylidene-5H-1,2-thiazole (CID 87152525) is 2-methyl-1-methylidene-5H-1,2-thiazole.
What is the SMILES notation for 2-methyl-1-methylidene-5H-1,2-thiazole?
The canonical SMILES for 2-methyl-1-methylidene-5H-1,2-thiazole is C=S1CC=CN1C.
What is the InChIKey of 2-methyl-1-methylidene-5H-1,2-thiazole?
The InChIKey is FBJRJQBPGBVYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NS/c1-6-4-3-5-7(6)2/h3-4H,2,5H2,1H3.
What are the key properties of 2-methyl-1-methylidene-5H-1,2-thiazole?
2-methyl-1-methylidene-5H-1,2-thiazole has a molecular weight of 115.20 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylidene-5H-1,2-thiazole is sourced from PubChem (CID 87152525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).