4-[(E)-pent-2-en-2-yl]-4,5-dihydro-1,3-thiazol-2-amine

C8H14N2S — CID 149406196

IUPAC4-[(E)-pent-2-en-2-yl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC/C=C(\C)C1CSC(N)=N1
InChIInChI=1S/C8H14N2S/c1-3-4-6(2)7-5-11-8(9)10-7/h4,7H,3,5H2,1-2H3,(H2,9,10)/b6-4+
InChIKeyYQIMCRINEWNVGY-GQCTYLIASA-N
MW170.28 g/mol
LogP1.77
Rot. Bonds2

About 4-[(E)-pent-2-en-2-yl]-4,5-dihydro-1,3-thiazol-2-amine

4-[(E)-pent-2-en-2-yl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 149406196) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 4-[(E)-pent-2-en-2-yl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(E)-pent-2-en-2-yl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID149406196
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name4-[(E)-pent-2-en-2-yl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC/C=C(\C)C1CSC(N)=N1
InChIInChI=1S/C8H14N2S/c1-3-4-6(2)7-5-11-8(9)10-7/h4,7H,3,5H2,1-2H3,(H2,9,10)/b6-4+
InChIKeyYQIMCRINEWNVGY-GQCTYLIASA-N
XLogP1.77
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4,5-dihydro-1,3-thiazole-4-carbaldehyde
CID 173073989
(Z)-4-(2-amino-4,5-dihydro-1,3-thiazol-4-yl)-5-[(2-methoxycarbonyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl)amino]-5-oxopent-3-enoic acid
CID 172578874
5-[(E)-pent-2-en-2-yl]pyrrolidine-2-thione
CID 142244113
ethyl 2-(aminomethyl)-4,5-dihydro-1,3-thiazole-4-carboxylate
CID 12989075
4-[ethylsulfanyl(diphenyl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 70331901
3-(3-methylbut-2-enyl)-2,3,6,7-tetrahydro-1,4-thiazepin-5-amine;hydrochloride
CID 70161194
(4R)-2-ethoxy-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 89396678
methanamine;(Z)-pent-2-en-2-amine
CID 145487101
ethyl (4S)-2-[(1R)-1-aminoethyl]-4,5-dihydro-1,3-thiazole-4-carboxylate;hydrochloride
CID 23552815
4-ethyl-4,5-dihydro-1,3-selenazol-2-amine
CID 72770334
(Z)-3-(4-methylcyclohex-3-en-1-yl)but-2-en-1-amine
CID 67319368
2-(2-aminoethyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 105435823

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-pent-2-en-2-yl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-[(E)-pent-2-en-2-yl]-4,5-dihydro-1,3-thiazol-2-amine (CID 149406196) is 4-[(E)-pent-2-en-2-yl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(E)-pent-2-en-2-yl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(E)-pent-2-en-2-yl]-4,5-dihydro-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]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YQIMCRINEWNVGY-GQCTYLIASA-N. The full InChI is InChI=1S/C8H14N2S/c1-3-4-6(2)7-5-11-8(9)10-7/h4,7H,3,5H2,1-2H3,(H2,9,10)/b6-4+.
What are the key properties of 4-[(E)-pent-2-en-2-yl]-4,5-dihydro-1,3-thiazol-2-amine?
4-[(E)-pent-2-en-2-yl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 170.28 g/mol, XLogP of 1.77, 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]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 149406196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).