N-(1-thiophen-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine

C9H13N3S — CID 114400203

IUPACN-(1-thiophen-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(NC1=NCCN1)c1ccsc1
InChIInChI=1S/C9H13N3S/c1-7(8-2-5-13-6-8)12-9-10-3-4-11-9/h2,5-7H,3-4H2,1H3,(H2,10,11,12)
InChIKeyJDAXFOCUVCDHBN-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.36
Rot. Bonds2

About N-(1-thiophen-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine

N-(1-thiophen-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 114400203) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is N-(1-thiophen-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(1-thiophen-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID114400203
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC NameN-(1-thiophen-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(NC1=NCCN1)c1ccsc1
InChIInChI=1S/C9H13N3S/c1-7(8-2-5-13-6-8)12-9-10-3-4-11-9/h2,5-7H,3-4H2,1H3,(H2,10,11,12)
InChIKeyJDAXFOCUVCDHBN-UHFFFAOYSA-N
XLogP1.36
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-thiophen-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(1-thiophen-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine (CID 114400203) is N-(1-thiophen-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(1-thiophen-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(1-thiophen-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine is CC(NC1=NCCN1)c1ccsc1.
What is the InChIKey of N-(1-thiophen-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is JDAXFOCUVCDHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c1-7(8-2-5-13-6-8)12-9-10-3-4-11-9/h2,5-7H,3-4H2,1H3,(H2,10,11,12).
What are the key properties of N-(1-thiophen-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(1-thiophen-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 195.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-thiophen-3-ylethyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 114400203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).