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

C9H12N2S — CID 123233667

IUPAC5-ethenyl-N-methyl-4-prop-1-enyl-1,3-thiazol-2-amine
SMILESC=Cc1sc(NC)nc1C=CC
InChIInChI=1S/C9H12N2S/c1-4-6-7-8(5-2)12-9(10-3)11-7/h4-6H,2H2,1,3H3,(H,10,11)
InChIKeyVWSZKCYKYMFLPY-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.86
Rot. Bonds3

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

5-ethenyl-N-methyl-4-prop-1-enyl-1,3-thiazol-2-amine (PubChem CID 123233667) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 5-ethenyl-N-methyl-4-prop-1-enyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-ethenyl-N-methyl-4-prop-1-enyl-1,3-thiazol-2-amine
PubChem CID123233667
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name5-ethenyl-N-methyl-4-prop-1-enyl-1,3-thiazol-2-amine
SMILESC=Cc1sc(NC)nc1C=CC
InChIInChI=1S/C9H12N2S/c1-4-6-7-8(5-2)12-9(10-3)11-7/h4-6H,2H2,1,3H3,(H,10,11)
InChIKeyVWSZKCYKYMFLPY-UHFFFAOYSA-N
XLogP2.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-N-methyl-4-prop-1-enyl-1,3-thiazol-2-amine?
The IUPAC name of 5-ethenyl-N-methyl-4-prop-1-enyl-1,3-thiazol-2-amine (CID 123233667) is 5-ethenyl-N-methyl-4-prop-1-enyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-ethenyl-N-methyl-4-prop-1-enyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-ethenyl-N-methyl-4-prop-1-enyl-1,3-thiazol-2-amine is C=Cc1sc(NC)nc1C=CC.
What is the InChIKey of 5-ethenyl-N-methyl-4-prop-1-enyl-1,3-thiazol-2-amine?
The InChIKey is VWSZKCYKYMFLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-4-6-7-8(5-2)12-9(10-3)11-7/h4-6H,2H2,1,3H3,(H,10,11).
What are the key properties of 5-ethenyl-N-methyl-4-prop-1-enyl-1,3-thiazol-2-amine?
5-ethenyl-N-methyl-4-prop-1-enyl-1,3-thiazol-2-amine has a molecular weight of 180.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-N-methyl-4-prop-1-enyl-1,3-thiazol-2-amine is sourced from PubChem (CID 123233667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).