4-methyl-5-methylidene-4H-1,3-thiazole

C5H7NS — CID 123160959

IUPAC4-methyl-5-methylidene-4H-1,3-thiazole
SMILESC=C1SC=NC1C
InChIInChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3-4H,2H2,1H3
InChIKeyFUEADGVHAKEAQX-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.66
Rot. Bonds

About 4-methyl-5-methylidene-4H-1,3-thiazole

4-methyl-5-methylidene-4H-1,3-thiazole (PubChem CID 123160959) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 4-methyl-5-methylidene-4H-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-methylidene-4H-1,3-thiazole
PubChem CID123160959
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name4-methyl-5-methylidene-4H-1,3-thiazole
SMILESC=C1SC=NC1C
InChIInChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3-4H,2H2,1H3
InChIKeyFUEADGVHAKEAQX-UHFFFAOYSA-N
XLogP1.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Ethenyl-4,5-dihydro-1,3-thiazole
CID 141002309
(5E)-4-ethenyl-5-ethylidene-4H-1,3-thiazole
CID 145123026

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-methylidene-4H-1,3-thiazole?
The IUPAC name of 4-methyl-5-methylidene-4H-1,3-thiazole (CID 123160959) is 4-methyl-5-methylidene-4H-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-methylidene-4H-1,3-thiazole?
The canonical SMILES for 4-methyl-5-methylidene-4H-1,3-thiazole is C=C1SC=NC1C.
What is the InChIKey of 4-methyl-5-methylidene-4H-1,3-thiazole?
The InChIKey is FUEADGVHAKEAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3-4H,2H2,1H3.
What are the key properties of 4-methyl-5-methylidene-4H-1,3-thiazole?
4-methyl-5-methylidene-4H-1,3-thiazole has a molecular weight of 113.18 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-methylidene-4H-1,3-thiazole is sourced from PubChem (CID 123160959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).