5-[(Z)-but-1-enyl]-4-ethenyl-1,3-thiazol-2-amine

C9H12N2S — CID 143407497

IUPAC5-[(Z)-but-1-enyl]-4-ethenyl-1,3-thiazol-2-amine
SMILESC=Cc1nc(N)sc1/C=C\CC
InChIInChI=1S/C9H12N2S/c1-3-5-6-8-7(4-2)11-9(10)12-8/h4-6H,2-3H2,1H3,(H2,10,11)/b6-5-
InChIKeyBFXGLECTPLEIPW-WAYWQWQTSA-N
MW180.28 g/mol
LogP2.79
Rot. Bonds3

About 5-[(Z)-but-1-enyl]-4-ethenyl-1,3-thiazol-2-amine

5-[(Z)-but-1-enyl]-4-ethenyl-1,3-thiazol-2-amine (PubChem CID 143407497) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is 5-[(Z)-but-1-enyl]-4-ethenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(Z)-but-1-enyl]-4-ethenyl-1,3-thiazol-2-amine
PubChem CID143407497
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC Name5-[(Z)-but-1-enyl]-4-ethenyl-1,3-thiazol-2-amine
SMILESC=Cc1nc(N)sc1/C=C\CC
InChIInChI=1S/C9H12N2S/c1-3-5-6-8-7(4-2)11-9(10)12-8/h4-6H,2-3H2,1H3,(H2,10,11)/b6-5-
InChIKeyBFXGLECTPLEIPW-WAYWQWQTSA-N
XLogP2.79
TPSA38.91 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-1-enyl]-4-ethenyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(Z)-but-1-enyl]-4-ethenyl-1,3-thiazol-2-amine (CID 143407497) is 5-[(Z)-but-1-enyl]-4-ethenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(Z)-but-1-enyl]-4-ethenyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(Z)-but-1-enyl]-4-ethenyl-1,3-thiazol-2-amine is C=Cc1nc(N)sc1/C=C\CC.
What is the InChIKey of 5-[(Z)-but-1-enyl]-4-ethenyl-1,3-thiazol-2-amine?
The InChIKey is BFXGLECTPLEIPW-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H12N2S/c1-3-5-6-8-7(4-2)11-9(10)12-8/h4-6H,2-3H2,1H3,(H2,10,11)/b6-5-.
What are the key properties of 5-[(Z)-but-1-enyl]-4-ethenyl-1,3-thiazol-2-amine?
5-[(Z)-but-1-enyl]-4-ethenyl-1,3-thiazol-2-amine has a molecular weight of 180.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-1-enyl]-4-ethenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 143407497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).