4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine

C10H16N2S — CID 115691846

IUPAC4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine
SMILESC/C=C/CCNc1nc(CC)cs1
InChIInChI=1S/C10H16N2S/c1-3-5-6-7-11-10-12-9(4-2)8-13-10/h3,5,8H,4,6-7H2,1-2H3,(H,11,12)/b5-3+
InChIKeyWHGISVAVOSMCEQ-HWKANZROSA-N
MW196.32 g/mol
LogP3.08
Rot. Bonds5

About 4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine

4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine (PubChem CID 115691846) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine
PubChem CID115691846
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine
SMILESC/C=C/CCNc1nc(CC)cs1
InChIInChI=1S/C10H16N2S/c1-3-5-6-7-11-10-12-9(4-2)8-13-10/h3,5,8H,4,6-7H2,1-2H3,(H,11,12)/b5-3+
InChIKeyWHGISVAVOSMCEQ-HWKANZROSA-N
XLogP3.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-1-ol
CID 106842633
3-[(4-ethyl-1,3-thiazol-2-yl)amino]-N-methylpropanamide
CID 62962639
6-[(4-ethyl-1,3-thiazol-2-yl)amino]hexan-1-ol
CID 103918134
N',N'-diethyl-N-(4-ethyl-1,3-thiazol-2-yl)propane-1,3-diamine
CID 62963177
N-ethyl-2-[(4-ethyl-1,3-thiazol-2-yl)amino]ethanesulfonamide
CID 106338122
N-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-1,3-thiazol-2-amine
CID 103081678
4-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazol-2-amine
CID 103749995
2-[(4-ethyl-1,3-thiazol-2-yl)amino]acetic acid
CID 62960794
4-ethyl-N-(3-pyrazol-1-ylpropyl)-1,3-thiazol-2-amine
CID 115681727
4-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]-1,3-thiazol-2-amine
CID 136575144
4-ethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-2-amine
CID 62961909
4-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 62963186

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine (CID 115691846) is 4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine is C/C=C/CCNc1nc(CC)cs1.
What is the InChIKey of 4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine?
The InChIKey is WHGISVAVOSMCEQ-HWKANZROSA-N. The full InChI is InChI=1S/C10H16N2S/c1-3-5-6-7-11-10-12-9(4-2)8-13-10/h3,5,8H,4,6-7H2,1-2H3,(H,11,12)/b5-3+.
What are the key properties of 4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine?
4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine has a molecular weight of 196.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(E)-pent-3-enyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 115691846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).