4-[(E)-pent-2-en-2-yl]-1,3-thiazol-2-amine

C8H12N2S — CID 59345793

IUPAC4-[(E)-pent-2-en-2-yl]-1,3-thiazol-2-amine
SMILESCC/C=C(\C)c1csc(N)n1
InChIInChI=1S/C8H12N2S/c1-3-4-6(2)7-5-11-8(9)10-7/h4-5H,3H2,1-2H3,(H2,9,10)/b6-4+
InChIKeyDIVHCORJRMJGKB-GQCTYLIASA-N
MW168.26 g/mol
LogP2.54
Rot. Bonds2

About 4-[(E)-pent-2-en-2-yl]-1,3-thiazol-2-amine

4-[(E)-pent-2-en-2-yl]-1,3-thiazol-2-amine (PubChem CID 59345793) has the molecular formula C8H12N2S and a molecular weight of 168.26 g/mol. Its IUPAC name is 4-[(E)-pent-2-en-2-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(E)-pent-2-en-2-yl]-1,3-thiazol-2-amine
PubChem CID59345793
Molecular FormulaC8H12N2S
Molecular Weight168.26 g/mol
Exact Mass168.07
IUPAC Name4-[(E)-pent-2-en-2-yl]-1,3-thiazol-2-amine
SMILESCC/C=C(\C)c1csc(N)n1
InChIInChI=1S/C8H12N2S/c1-3-4-6(2)7-5-11-8(9)10-7/h4-5H,3H2,1-2H3,(H2,9,10)/b6-4+
InChIKeyDIVHCORJRMJGKB-GQCTYLIASA-N
XLogP2.54
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-pent-2-en-2-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(E)-pent-2-en-2-yl]-1,3-thiazol-2-amine (CID 59345793) is 4-[(E)-pent-2-en-2-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(E)-pent-2-en-2-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(E)-pent-2-en-2-yl]-1,3-thiazol-2-amine is CC/C=C(\C)c1csc(N)n1.
What is the InChIKey of 4-[(E)-pent-2-en-2-yl]-1,3-thiazol-2-amine?
The InChIKey is DIVHCORJRMJGKB-GQCTYLIASA-N. The full InChI is InChI=1S/C8H12N2S/c1-3-4-6(2)7-5-11-8(9)10-7/h4-5H,3H2,1-2H3,(H2,9,10)/b6-4+.
What are the key properties of 4-[(E)-pent-2-en-2-yl]-1,3-thiazol-2-amine?
4-[(E)-pent-2-en-2-yl]-1,3-thiazol-2-amine has a molecular weight of 168.26 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-pent-2-en-2-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 59345793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).