4-methylidene-1,3-thiazole

C4H5NS — CID 18377076

IUPAC4-methylidene-1,3-thiazole
SMILESC=C1CSC=N1
InChIInChI=1S/C4H5NS/c1-4-2-6-3-5-4/h3H,1-2H2
InChIKeyJDYMITVZCUMQGE-UHFFFAOYSA-N
MW99.16 g/mol
LogP1.28
Rot. Bonds

About 4-methylidene-1,3-thiazole

4-methylidene-1,3-thiazole (PubChem CID 18377076) has the molecular formula C4H5NS and a molecular weight of 99.16 g/mol. Its IUPAC name is 4-methylidene-1,3-thiazole.

Molecular Properties

Compound Name4-methylidene-1,3-thiazole
PubChem CID18377076
Molecular FormulaC4H5NS
Molecular Weight99.16 g/mol
Exact Mass99.01
IUPAC Name4-methylidene-1,3-thiazole
SMILESC=C1CSC=N1
InChIInChI=1S/C4H5NS/c1-4-2-6-3-5-4/h3H,1-2H2
InChIKeyJDYMITVZCUMQGE-UHFFFAOYSA-N
XLogP1.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.16
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1,3-thiazole?
The IUPAC name of 4-methylidene-1,3-thiazole (CID 18377076) is 4-methylidene-1,3-thiazole.
What is the SMILES notation for 4-methylidene-1,3-thiazole?
The canonical SMILES for 4-methylidene-1,3-thiazole is C=C1CSC=N1.
What is the InChIKey of 4-methylidene-1,3-thiazole?
The InChIKey is JDYMITVZCUMQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NS/c1-4-2-6-3-5-4/h3H,1-2H2.
What are the key properties of 4-methylidene-1,3-thiazole?
4-methylidene-1,3-thiazole has a molecular weight of 99.16 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1,3-thiazole is sourced from PubChem (CID 18377076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).