N-(furan-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-1-thiophen-3-ylmethanamine

C14H15N3OS — CID 46990875

IUPACN-(furan-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-1-thiophen-3-ylmethanamine
SMILESc1coc(CN(Cc2ccsc2)Cc2cnc[nH]2)c1
InChIInChI=1S/C14H15N3OS/c1-2-14(18-4-1)9-17(7-12-3-5-19-10-12)8-13-6-15-11-16-13/h1-6,10-11H,7-9H2,(H,15,16)
InChIKeyVTQOPEIDCWKLJY-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.27
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-1-thiophen-3-ylmethanamine

N-(furan-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-1-thiophen-3-ylmethanamine (PubChem CID 46990875) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-1-thiophen-3-ylmethanamine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-1-thiophen-3-ylmethanamine
PubChem CID46990875
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC NameN-(furan-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-1-thiophen-3-ylmethanamine
SMILESc1coc(CN(Cc2ccsc2)Cc2cnc[nH]2)c1
InChIInChI=1S/C14H15N3OS/c1-2-14(18-4-1)9-17(7-12-3-5-19-10-12)8-13-6-15-11-16-13/h1-6,10-11H,7-9H2,(H,15,16)
InChIKeyVTQOPEIDCWKLJY-UHFFFAOYSA-N
XLogP3.27
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1Z)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 5767539
N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]furan-2-carboxamide
CID 5731976
N-[(1Z)-1-(furan-2-yl)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-2-yl]thiophene-2-carboxamide
CID 16193280
N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)ethanamine
CID 14712093
N-(furan-2-ylmethyl)-2-(1H-imidazol-5-yl)-N-methylethanamine
CID 14712095
N-(furan-2-ylmethyl)-3-(1H-imidazol-5-yl)propan-1-amine
CID 14712123
N-(furan-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-1-pyridin-3-ylmethanamine
CID 44390063
1-(furan-2-yl)-N-methyl-N-[[7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]methanamine
CID 97467607
N-(furan-2-ylmethyl)-6-thiophen-2-ylpyrazin-2-amine
CID 172434154
N-(furan-2-ylmethyl)-3-thiophen-3-ylpyrazin-2-amine
CID 172434471
N-(furan-2-ylmethyl)-3-phenyl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 16260649
(6S)-N-(furan-2-ylmethyl)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxamide
CID 26745357

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-1-thiophen-3-ylmethanamine?
The IUPAC name of N-(furan-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-1-thiophen-3-ylmethanamine (CID 46990875) is N-(furan-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-1-thiophen-3-ylmethanamine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-1-thiophen-3-ylmethanamine?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-1-thiophen-3-ylmethanamine is c1coc(CN(Cc2ccsc2)Cc2cnc[nH]2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-1-thiophen-3-ylmethanamine?
The InChIKey is VTQOPEIDCWKLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-2-14(18-4-1)9-17(7-12-3-5-19-10-12)8-13-6-15-11-16-13/h1-6,10-11H,7-9H2,(H,15,16).
What are the key properties of N-(furan-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-1-thiophen-3-ylmethanamine?
N-(furan-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-1-thiophen-3-ylmethanamine has a molecular weight of 273.36 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(1H-imidazol-5-ylmethyl)-1-thiophen-3-ylmethanamine is sourced from PubChem (CID 46990875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).