4-(furan-3-yl)-N-(1H-imidazol-5-ylmethyl)thiophen-3-amine

C12H11N3OS — CID 171514328

IUPAC4-(furan-3-yl)-N-(1H-imidazol-5-ylmethyl)thiophen-3-amine
SMILESc1ncc(CNc2cscc2-c2ccoc2)[nH]1
InChIInChI=1S/C12H11N3OS/c1-2-16-5-9(1)11-6-17-7-12(11)14-4-10-3-13-8-15-10/h1-3,5-8,14H,4H2,(H,13,15)
InChIKeyVOIOVFBWVHXPNI-UHFFFAOYSA-N
MW245.31 g/mol
LogP3.34
Rot. Bonds4

About 4-(furan-3-yl)-N-(1H-imidazol-5-ylmethyl)thiophen-3-amine

4-(furan-3-yl)-N-(1H-imidazol-5-ylmethyl)thiophen-3-amine (PubChem CID 171514328) has the molecular formula C12H11N3OS and a molecular weight of 245.31 g/mol. Its IUPAC name is 4-(furan-3-yl)-N-(1H-imidazol-5-ylmethyl)thiophen-3-amine.

Molecular Properties

Compound Name4-(furan-3-yl)-N-(1H-imidazol-5-ylmethyl)thiophen-3-amine
PubChem CID171514328
Molecular FormulaC12H11N3OS
Molecular Weight245.31 g/mol
Exact Mass245.06
IUPAC Name4-(furan-3-yl)-N-(1H-imidazol-5-ylmethyl)thiophen-3-amine
SMILESc1ncc(CNc2cscc2-c2ccoc2)[nH]1
InChIInChI=1S/C12H11N3OS/c1-2-16-5-9(1)11-6-17-7-12(11)14-4-10-3-13-8-15-10/h1-3,5-8,14H,4H2,(H,13,15)
InChIKeyVOIOVFBWVHXPNI-UHFFFAOYSA-N
XLogP3.34
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-N-(1H-imidazol-5-ylmethyl)thiophen-3-amine?
The IUPAC name of 4-(furan-3-yl)-N-(1H-imidazol-5-ylmethyl)thiophen-3-amine (CID 171514328) is 4-(furan-3-yl)-N-(1H-imidazol-5-ylmethyl)thiophen-3-amine.
What is the SMILES notation for 4-(furan-3-yl)-N-(1H-imidazol-5-ylmethyl)thiophen-3-amine?
The canonical SMILES for 4-(furan-3-yl)-N-(1H-imidazol-5-ylmethyl)thiophen-3-amine is c1ncc(CNc2cscc2-c2ccoc2)[nH]1.
What is the InChIKey of 4-(furan-3-yl)-N-(1H-imidazol-5-ylmethyl)thiophen-3-amine?
The InChIKey is VOIOVFBWVHXPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3OS/c1-2-16-5-9(1)11-6-17-7-12(11)14-4-10-3-13-8-15-10/h1-3,5-8,14H,4H2,(H,13,15).
What are the key properties of 4-(furan-3-yl)-N-(1H-imidazol-5-ylmethyl)thiophen-3-amine?
4-(furan-3-yl)-N-(1H-imidazol-5-ylmethyl)thiophen-3-amine has a molecular weight of 245.31 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-N-(1H-imidazol-5-ylmethyl)thiophen-3-amine is sourced from PubChem (CID 171514328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).