1-methylidene-2,3-dihydro-1,2-thiazole

C4H7NS — CID 141130726

IUPAC1-methylidene-2,3-dihydro-1,2-thiazole
SMILESC=S1C=CCN1
InChIInChI=1S/C4H7NS/c1-6-4-2-3-5-6/h2,4-5H,1,3H2
InChIKeyMEQLKYQXHCTXJB-UHFFFAOYSA-N
MW101.17 g/mol
LogP0.72
Rot. Bonds

About 1-methylidene-2,3-dihydro-1,2-thiazole

1-methylidene-2,3-dihydro-1,2-thiazole (PubChem CID 141130726) has the molecular formula C4H7NS and a molecular weight of 101.17 g/mol. Its IUPAC name is 1-methylidene-2,3-dihydro-1,2-thiazole.

Molecular Properties

Compound Name1-methylidene-2,3-dihydro-1,2-thiazole
PubChem CID141130726
Molecular FormulaC4H7NS
Molecular Weight101.17 g/mol
Exact Mass101.03
IUPAC Name1-methylidene-2,3-dihydro-1,2-thiazole
SMILESC=S1C=CCN1
InChIInChI=1S/C4H7NS/c1-6-4-2-3-5-6/h2,4-5H,1,3H2
InChIKeyMEQLKYQXHCTXJB-UHFFFAOYSA-N
XLogP0.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
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 1-methylidene-2,3-dihydro-1,2-thiazole?
The IUPAC name of 1-methylidene-2,3-dihydro-1,2-thiazole (CID 141130726) is 1-methylidene-2,3-dihydro-1,2-thiazole.
What is the SMILES notation for 1-methylidene-2,3-dihydro-1,2-thiazole?
The canonical SMILES for 1-methylidene-2,3-dihydro-1,2-thiazole is C=S1C=CCN1.
What is the InChIKey of 1-methylidene-2,3-dihydro-1,2-thiazole?
The InChIKey is MEQLKYQXHCTXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NS/c1-6-4-2-3-5-6/h2,4-5H,1,3H2.
What are the key properties of 1-methylidene-2,3-dihydro-1,2-thiazole?
1-methylidene-2,3-dihydro-1,2-thiazole has a molecular weight of 101.17 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-2,3-dihydro-1,2-thiazole is sourced from PubChem (CID 141130726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).