2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine

C11H15N3S2 — CID 94691066

IUPAC2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine
SMILESNCCSc1nccn1CCc1cccs1
InChIInChI=1S/C11H15N3S2/c12-4-9-16-11-13-5-7-14(11)6-3-10-2-1-8-15-10/h1-2,5,7-8H,3-4,6,9,12H2
InChIKeyDRUGLSHWDZTUKA-UHFFFAOYSA-N
MW253.40 g/mol
LogP2.24
Rot. Bonds6

About 2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine

2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine (PubChem CID 94691066) has the molecular formula C11H15N3S2 and a molecular weight of 253.40 g/mol. Its IUPAC name is 2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine.

Molecular Properties

Compound Name2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine
PubChem CID94691066
Molecular FormulaC11H15N3S2
Molecular Weight253.40 g/mol
Exact Mass253.07
IUPAC Name2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine
SMILESNCCSc1nccn1CCc1cccs1
InChIInChI=1S/C11H15N3S2/c12-4-9-16-11-13-5-7-14(11)6-3-10-2-1-8-15-10/h1-2,5,7-8H,3-4,6,9,12H2
InChIKeyDRUGLSHWDZTUKA-UHFFFAOYSA-N
XLogP2.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanol
CID 94691207
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]ethanamine
CID 63773737
2-methylsulfonyl-1-(2-thiophen-2-ylethyl)imidazole
CID 82132226
2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine
CID 94686227
1-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]butan-2-amine
CID 55235170
2-(2-thiophen-2-ylethylsulfanyl)ethanamine
CID 19018756
2-(1-ethylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 25416397
5-(2-aminoethoxy)-2-(2-thiophen-2-ylethyl)pyridazin-3-one
CID 103222731
1-(2-thiophen-2-ylethyl)pyrazol-3-amine
CID 63773628
5,6-difluoro-1-(2-thiophen-2-ylethyl)benzimidazole
CID 113357701
6-chloro-3-(2-thiophen-2-ylethyl)pyrimidin-4-one
CID 114582136
3-[2-(3-methylphenoxy)ethylsulfanyl]-4-(2-thiophen-2-ylethyl)-1,2,4-triazole
CID 134010799

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine?
The IUPAC name of 2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine (CID 94691066) is 2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine.
What is the SMILES notation for 2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine?
The canonical SMILES for 2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine is NCCSc1nccn1CCc1cccs1.
What is the InChIKey of 2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine?
The InChIKey is DRUGLSHWDZTUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S2/c12-4-9-16-11-13-5-7-14(11)6-3-10-2-1-8-15-10/h1-2,5,7-8H,3-4,6,9,12H2.
What are the key properties of 2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine?
2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine has a molecular weight of 253.40 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-thiophen-2-ylethyl)imidazol-2-yl]sulfanylethanamine is sourced from PubChem (CID 94691066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).