1-prop-2-enyl-N-(thiophen-3-ylmethyl)imidazol-2-amine

C11H13N3S — CID 106571941

IUPAC1-prop-2-enyl-N-(thiophen-3-ylmethyl)imidazol-2-amine
SMILESC=CCn1ccnc1NCc1ccsc1
InChIInChI=1S/C11H13N3S/c1-2-5-14-6-4-12-11(14)13-8-10-3-7-15-9-10/h2-4,6-7,9H,1,5,8H2,(H,12,13)
InChIKeyKNXQVPFIBVOEIU-UHFFFAOYSA-N
MW219.31 g/mol
LogP2.74
Rot. Bonds5

About 1-prop-2-enyl-N-(thiophen-3-ylmethyl)imidazol-2-amine

1-prop-2-enyl-N-(thiophen-3-ylmethyl)imidazol-2-amine (PubChem CID 106571941) has the molecular formula C11H13N3S and a molecular weight of 219.31 g/mol. Its IUPAC name is 1-prop-2-enyl-N-(thiophen-3-ylmethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-prop-2-enyl-N-(thiophen-3-ylmethyl)imidazol-2-amine
PubChem CID106571941
Molecular FormulaC11H13N3S
Molecular Weight219.31 g/mol
Exact Mass219.08
IUPAC Name1-prop-2-enyl-N-(thiophen-3-ylmethyl)imidazol-2-amine
SMILESC=CCn1ccnc1NCc1ccsc1
InChIInChI=1S/C11H13N3S/c1-2-5-14-6-4-12-11(14)13-8-10-3-7-15-9-10/h2-4,6-7,9H,1,5,8H2,(H,12,13)
InChIKeyKNXQVPFIBVOEIU-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-prop-2-enyl-N-(1-thiophen-3-ylpropan-2-yl)imidazol-2-amine
CID 106567886
N-(naphthalen-1-ylmethyl)-1-prop-2-enylimidazol-2-amine
CID 106571364
N-ethyl-1-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567554
1-prop-2-enyl-N-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 106570549
N-methyl-1-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567511
N-(2-methylbutyl)-1-prop-2-enylimidazol-2-amine
CID 106570341
N-cyclopentyl-1-(thiophen-3-ylmethyl)imidazol-2-amine
CID 106571939
1-prop-2-enyl-N-(2-pyridin-2-ylethyl)imidazol-2-amine
CID 106554400
1-prop-2-enyl-N-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576782
3-methyl-N-(thiophen-3-ylmethyl)pyrazin-2-amine
CID 83065242
N-(4-iodophenyl)-1-prop-2-enylimidazol-2-amine
CID 106554163
N-prop-2-enyl-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 79278997

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-N-(thiophen-3-ylmethyl)imidazol-2-amine?
The IUPAC name of 1-prop-2-enyl-N-(thiophen-3-ylmethyl)imidazol-2-amine (CID 106571941) is 1-prop-2-enyl-N-(thiophen-3-ylmethyl)imidazol-2-amine.
What is the SMILES notation for 1-prop-2-enyl-N-(thiophen-3-ylmethyl)imidazol-2-amine?
The canonical SMILES for 1-prop-2-enyl-N-(thiophen-3-ylmethyl)imidazol-2-amine is C=CCn1ccnc1NCc1ccsc1.
What is the InChIKey of 1-prop-2-enyl-N-(thiophen-3-ylmethyl)imidazol-2-amine?
The InChIKey is KNXQVPFIBVOEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3S/c1-2-5-14-6-4-12-11(14)13-8-10-3-7-15-9-10/h2-4,6-7,9H,1,5,8H2,(H,12,13).
What are the key properties of 1-prop-2-enyl-N-(thiophen-3-ylmethyl)imidazol-2-amine?
1-prop-2-enyl-N-(thiophen-3-ylmethyl)imidazol-2-amine has a molecular weight of 219.31 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-N-(thiophen-3-ylmethyl)imidazol-2-amine is sourced from PubChem (CID 106571941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).