4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-amine

C8H10N2S — CID 129172977

IUPAC4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-amine
SMILESC=C/C=C\c1nc(N)sc1C
InChIInChI=1S/C8H10N2S/c1-3-4-5-7-6(2)11-8(9)10-7/h3-5H,1H2,2H3,(H2,9,10)/b5-4-
InChIKeyCGGVVGIDMJMPSE-PLNGDYQASA-N
MW166.25 g/mol
LogP2.23
Rot. Bonds2

About 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-amine

4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-amine (PubChem CID 129172977) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-amine
PubChem CID129172977
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-amine
SMILESC=C/C=C\c1nc(N)sc1C
InChIInChI=1S/C8H10N2S/c1-3-4-5-7-6(2)11-8(9)10-7/h3-5H,1H2,2H3,(H2,9,10)/b5-4-
InChIKeyCGGVVGIDMJMPSE-PLNGDYQASA-N
XLogP2.23
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-amine (CID 129172977) is 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-amine is C=C/C=C\c1nc(N)sc1C.
What is the InChIKey of 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-amine?
The InChIKey is CGGVVGIDMJMPSE-PLNGDYQASA-N. The full InChI is InChI=1S/C8H10N2S/c1-3-4-5-7-6(2)11-8(9)10-7/h3-5H,1H2,2H3,(H2,9,10)/b5-4-.
What are the key properties of 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-amine?
4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-amine has a molecular weight of 166.25 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1Z)-buta-1,3-dienyl]-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 129172977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).