5-methylidene-N-prop-2-enyl-4H-1,3-thiazol-2-amine

C7H10N2S — CID 70560695

IUPAC5-methylidene-N-prop-2-enyl-4H-1,3-thiazol-2-amine
SMILESC=CCNC1=NCC(=C)S1
InChIInChI=1S/C7H10N2S/c1-3-4-8-7-9-5-6(2)10-7/h3H,1-2,4-5H2,(H,8,9)
InChIKeyGYITVCFTKRYGRL-UHFFFAOYSA-N
MW154.24 g/mol
LogP1.38
Rot. Bonds2

About 5-methylidene-N-prop-2-enyl-4H-1,3-thiazol-2-amine

5-methylidene-N-prop-2-enyl-4H-1,3-thiazol-2-amine (PubChem CID 70560695) has the molecular formula C7H10N2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 5-methylidene-N-prop-2-enyl-4H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methylidene-N-prop-2-enyl-4H-1,3-thiazol-2-amine
PubChem CID70560695
Molecular FormulaC7H10N2S
Molecular Weight154.24 g/mol
Exact Mass154.06
IUPAC Name5-methylidene-N-prop-2-enyl-4H-1,3-thiazol-2-amine
SMILESC=CCNC1=NCC(=C)S1
InChIInChI=1S/C7H10N2S/c1-3-4-8-7-9-5-6(2)10-7/h3H,1-2,4-5H2,(H,8,9)
InChIKeyGYITVCFTKRYGRL-UHFFFAOYSA-N
XLogP1.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-N-prop-2-enyl-4H-1,3-thiazol-2-amine?
The IUPAC name of 5-methylidene-N-prop-2-enyl-4H-1,3-thiazol-2-amine (CID 70560695) is 5-methylidene-N-prop-2-enyl-4H-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methylidene-N-prop-2-enyl-4H-1,3-thiazol-2-amine?
The canonical SMILES for 5-methylidene-N-prop-2-enyl-4H-1,3-thiazol-2-amine is C=CCNC1=NCC(=C)S1.
What is the InChIKey of 5-methylidene-N-prop-2-enyl-4H-1,3-thiazol-2-amine?
The InChIKey is GYITVCFTKRYGRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S/c1-3-4-8-7-9-5-6(2)10-7/h3H,1-2,4-5H2,(H,8,9).
What are the key properties of 5-methylidene-N-prop-2-enyl-4H-1,3-thiazol-2-amine?
5-methylidene-N-prop-2-enyl-4H-1,3-thiazol-2-amine has a molecular weight of 154.24 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-N-prop-2-enyl-4H-1,3-thiazol-2-amine is sourced from PubChem (CID 70560695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).