4-ethenyl-N-methyl-N-prop-2-enyl-1,3-thiazol-5-amine

C9H12N2S — CID 15325070

IUPAC4-ethenyl-N-methyl-N-prop-2-enyl-1,3-thiazol-5-amine
SMILESC=CCN(C)c1scnc1C=C
InChIInChI=1S/C9H12N2S/c1-4-6-11(3)9-8(5-2)10-7-12-9/h4-5,7H,1-2,6H2,3H3
InChIKeyGMSRJGMACAVSBV-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.41
Rot. Bonds4

About 4-ethenyl-N-methyl-N-prop-2-enyl-1,3-thiazol-5-amine

4-ethenyl-N-methyl-N-prop-2-enyl-1,3-thiazol-5-amine (PubChem CID 15325070) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 4-ethenyl-N-methyl-N-prop-2-enyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-ethenyl-N-methyl-N-prop-2-enyl-1,3-thiazol-5-amine
PubChem CID15325070
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name4-ethenyl-N-methyl-N-prop-2-enyl-1,3-thiazol-5-amine
SMILESC=CCN(C)c1scnc1C=C
InChIInChI=1S/C9H12N2S/c1-4-6-11(3)9-8(5-2)10-7-12-9/h4-5,7H,1-2,6H2,3H3
InChIKeyGMSRJGMACAVSBV-UHFFFAOYSA-N
XLogP2.41
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
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 4-ethenyl-N-methyl-N-prop-2-enyl-1,3-thiazol-5-amine?
The IUPAC name of 4-ethenyl-N-methyl-N-prop-2-enyl-1,3-thiazol-5-amine (CID 15325070) is 4-ethenyl-N-methyl-N-prop-2-enyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-ethenyl-N-methyl-N-prop-2-enyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-ethenyl-N-methyl-N-prop-2-enyl-1,3-thiazol-5-amine is C=CCN(C)c1scnc1C=C.
What is the InChIKey of 4-ethenyl-N-methyl-N-prop-2-enyl-1,3-thiazol-5-amine?
The InChIKey is GMSRJGMACAVSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-4-6-11(3)9-8(5-2)10-7-12-9/h4-5,7H,1-2,6H2,3H3.
What are the key properties of 4-ethenyl-N-methyl-N-prop-2-enyl-1,3-thiazol-5-amine?
4-ethenyl-N-methyl-N-prop-2-enyl-1,3-thiazol-5-amine has a molecular weight of 180.28 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-methyl-N-prop-2-enyl-1,3-thiazol-5-amine is sourced from PubChem (CID 15325070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).