4-methyl-N-prop-2-enyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine

C13H18N4S — CID 106574986

IUPAC4-methyl-N-prop-2-enyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine
SMILESC=CCNc1nc(C)cn1C(CC)c1nccs1
InChIInChI=1S/C13H18N4S/c1-4-6-15-13-16-10(3)9-17(13)11(5-2)12-14-7-8-18-12/h4,7-9,11H,1,5-6H2,2-3H3,(H,15,16)
InChIKeyVNVBKOJLFXGMCO-UHFFFAOYSA-N
MW262.38 g/mol
LogP3.25
Rot. Bonds6

About 4-methyl-N-prop-2-enyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine

4-methyl-N-prop-2-enyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine (PubChem CID 106574986) has the molecular formula C13H18N4S and a molecular weight of 262.38 g/mol. Its IUPAC name is 4-methyl-N-prop-2-enyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-prop-2-enyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine
PubChem CID106574986
Molecular FormulaC13H18N4S
Molecular Weight262.38 g/mol
Exact Mass262.13
IUPAC Name4-methyl-N-prop-2-enyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine
SMILESC=CCNc1nc(C)cn1C(CC)c1nccs1
InChIInChI=1S/C13H18N4S/c1-4-6-15-13-16-10(3)9-17(13)11(5-2)12-14-7-8-18-12/h4,7-9,11H,1,5-6H2,2-3H3,(H,15,16)
InChIKeyVNVBKOJLFXGMCO-UHFFFAOYSA-N
XLogP3.25
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106574743
1-[1-(diethylamino)propan-2-yl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106566325
4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine
CID 106580475
1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106566854
4-methyl-1-(2-methylcyclopropyl)-N-prop-2-enylimidazol-2-amine
CID 106571162
1-cyclopentyl-4-methyl-N-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine
CID 106574988
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106557756
N-cyclohexyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106574761
N-(3-ethoxypropyl)-4-methyl-1-(1-thiophen-2-ylpropyl)imidazol-2-amine
CID 106564369
N-phenyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine
CID 106574962
4-methyl-1-(2-methylsulfanylpropyl)-N-prop-2-enylimidazol-2-amine
CID 106580957
4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine
CID 106572182

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-prop-2-enyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine?
The IUPAC name of 4-methyl-N-prop-2-enyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine (CID 106574986) is 4-methyl-N-prop-2-enyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine.
What is the SMILES notation for 4-methyl-N-prop-2-enyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine?
The canonical SMILES for 4-methyl-N-prop-2-enyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine is C=CCNc1nc(C)cn1C(CC)c1nccs1.
What is the InChIKey of 4-methyl-N-prop-2-enyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine?
The InChIKey is VNVBKOJLFXGMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S/c1-4-6-15-13-16-10(3)9-17(13)11(5-2)12-14-7-8-18-12/h4,7-9,11H,1,5-6H2,2-3H3,(H,15,16).
What are the key properties of 4-methyl-N-prop-2-enyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine?
4-methyl-N-prop-2-enyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine has a molecular weight of 262.38 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-prop-2-enyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine is sourced from PubChem (CID 106574986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).