1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine

C18H16N2O2S2 — CID 75389139

IUPAC1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine
SMILESc1coc(CN(Cc2cccs2)Cc2cnoc2-c2cccs2)c1
InChIInChI=1S/C18H16N2O2S2/c1-4-15(21-7-1)12-20(13-16-5-2-8-23-16)11-14-10-19-22-18(14)17-6-3-9-24-17/h1-10H,11-13H2
InChIKeyBVSFFUQHCGBICH-UHFFFAOYSA-N
MW356.47 g/mol
LogP5.26
Rot. Bonds7

About 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine

1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine (PubChem CID 75389139) has the molecular formula C18H16N2O2S2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine
PubChem CID75389139
Molecular FormulaC18H16N2O2S2
Molecular Weight356.47 g/mol
Exact Mass356.07
IUPAC Name1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine
SMILESc1coc(CN(Cc2cccs2)Cc2cnoc2-c2cccs2)c1
InChIInChI=1S/C18H16N2O2S2/c1-4-15(21-7-1)12-20(13-16-5-2-8-23-16)11-14-10-19-22-18(14)17-6-3-9-24-17/h1-10H,11-13H2
InChIKeyBVSFFUQHCGBICH-UHFFFAOYSA-N
XLogP5.26
TPSA42.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-1-(furan-2-yl)-N-(thiophen-2-ylmethyl)methanamine
CID 18087104
1-(furan-2-yl)-N-[[5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl]-N-(thiophen-2-ylmethyl)methanamine
CID 112796414
1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[[1-[4-(trifluoromethyl)phenyl]tetrazol-5-yl]methyl]methanamine
CID 60523402
7-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 8678107
N-(furan-2-ylmethyl)-1-(oxolan-2-yl)-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 47537063
N-(4-chlorophenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677854
methyl 5-[[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 78807455
N-(2,6-dimethylphenyl)-2-[furan-2-ylmethyl(thiophen-2-ylmethyl)amino]acetamide
CID 8677649
N-(furan-2-ylmethyl)-4,6-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 78857932
(Z)-N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)but-2-enamide
CID 71627874
N-(furan-2-ylmethyl)-3,5-dimethyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 18157870
N-(furan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 60644710

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine (CID 75389139) is 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine is c1coc(CN(Cc2cccs2)Cc2cnoc2-c2cccs2)c1.
What is the InChIKey of 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine?
The InChIKey is BVSFFUQHCGBICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S2/c1-4-15(21-7-1)12-20(13-16-5-2-8-23-16)11-14-10-19-22-18(14)17-6-3-9-24-17/h1-10H,11-13H2.
What are the key properties of 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine?
1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine has a molecular weight of 356.47 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-(thiophen-2-ylmethyl)-N-[(5-thiophen-2-yl-1,2-oxazol-4-yl)methyl]methanamine is sourced from PubChem (CID 75389139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).