5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1H-imidazol-2-amine

C14H20N4S — CID 18699982

IUPAC5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1H-imidazol-2-amine
SMILESNc1ncc(-c2ccc(CN3CCCCCC3)s2)[nH]1
InChIInChI=1S/C14H20N4S/c15-14-16-9-12(17-14)13-6-5-11(19-13)10-18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2,(H3,15,16,17)
InChIKeyUSUZUYAERYNYKZ-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.10
Rot. Bonds3

About 5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1H-imidazol-2-amine

5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1H-imidazol-2-amine (PubChem CID 18699982) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1H-imidazol-2-amine
PubChem CID18699982
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1H-imidazol-2-amine
SMILESNc1ncc(-c2ccc(CN3CCCCCC3)s2)[nH]1
InChIInChI=1S/C14H20N4S/c15-14-16-9-12(17-14)13-6-5-11(19-13)10-18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2,(H3,15,16,17)
InChIKeyUSUZUYAERYNYKZ-UHFFFAOYSA-N
XLogP3.10
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1,2,4-oxadiazole
CID 18699996
1-[(5-pyridin-2-ylthiophen-2-yl)methyl]azepane
CID 18700032
1-[[5-(5-ethylthiophen-2-yl)-1H-imidazol-2-yl]methyl]piperazine
CID 61335164
[5-(piperidin-1-ylmethyl)thiophen-2-yl]methanol
CID 14026222
4-[5-(piperidin-1-ylmethyl)thiophen-2-yl]benzoic acid
CID 58256876
2-[2-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]imidazol-1-yl]acetamide
CID 50966332
5-(azepan-1-ylmethyl)-1,3-oxazol-2-amine
CID 117192196
5-(5-chlorothiophen-2-yl)-1H-imidazol-2-amine;sulfuric acid
CID 71757494
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
2-[5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1,2,4-oxadiazol-3-yl]ethyl acetate
CID 18699979
5-(piperidin-1-ylmethyl)-2-pyrrolidin-1-yl-1,3-thiazole
CID 118472763
3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine
CID 90221113

Frequently Asked Questions

What is the IUPAC name of 5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1H-imidazol-2-amine?
The IUPAC name of 5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1H-imidazol-2-amine (CID 18699982) is 5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1H-imidazol-2-amine.
What is the SMILES notation for 5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1H-imidazol-2-amine?
The canonical SMILES for 5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1H-imidazol-2-amine is Nc1ncc(-c2ccc(CN3CCCCCC3)s2)[nH]1.
What is the InChIKey of 5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1H-imidazol-2-amine?
The InChIKey is USUZUYAERYNYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c15-14-16-9-12(17-14)13-6-5-11(19-13)10-18-7-3-1-2-4-8-18/h5-6,9H,1-4,7-8,10H2,(H3,15,16,17).
What are the key properties of 5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1H-imidazol-2-amine?
5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1H-imidazol-2-amine has a molecular weight of 276.41 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(azepan-1-ylmethyl)thiophen-2-yl]-1H-imidazol-2-amine is sourced from PubChem (CID 18699982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).