2-[10-(furan-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl]ethanamine

C14H15N3OS — CID 82062761

IUPAC2-[10-(furan-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl]ethanamine
SMILESNCCc1c(-c2ccco2)nc2sc3c(n12)CCC3
InChIInChI=1S/C14H15N3OS/c15-7-6-10-13(11-4-2-8-18-11)16-14-17(10)9-3-1-5-12(9)19-14/h2,4,8H,1,3,5-7,15H2
InChIKeyOAVBEHVRQNZXFT-UHFFFAOYSA-N
MW273.36 g/mol
LogP2.65
Rot. Bonds3

About 2-[10-(furan-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl]ethanamine

2-[10-(furan-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl]ethanamine (PubChem CID 82062761) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-[10-(furan-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl]ethanamine.

Molecular Properties

Compound Name2-[10-(furan-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl]ethanamine
PubChem CID82062761
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name2-[10-(furan-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl]ethanamine
SMILESNCCc1c(-c2ccco2)nc2sc3c(n12)CCC3
InChIInChI=1S/C14H15N3OS/c15-7-6-10-13(11-4-2-8-18-11)16-14-17(10)9-3-1-5-12(9)19-14/h2,4,8H,1,3,5-7,15H2
InChIKeyOAVBEHVRQNZXFT-UHFFFAOYSA-N
XLogP2.65
TPSA56.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl)ethanamine
CID 82062759
[2-(4-methylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine
CID 39197108
2-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
CID 93211188
[6-(furan-2-yl)-2-propan-2-ylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219843
2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
CID 93211196
10-(4-ethoxyphenyl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-amine
CID 82068875
[6-(furan-2-yl)-2-(oxolan-2-yl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219849
3-(furan-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
CID 82366390
2-[2-(2,6-difluorophenyl)-4-(furan-2-yl)-1,3-thiazol-5-yl]ethanamine
CID 93216547
phenyl-(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methanone
CID 5179041
2-[3,6-bis(furan-2-yl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 93210596
2-(4-fluorophenyl)-1-methyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
CID 83092009

Frequently Asked Questions

What is the IUPAC name of 2-[10-(furan-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl]ethanamine?
The IUPAC name of 2-[10-(furan-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl]ethanamine (CID 82062761) is 2-[10-(furan-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl]ethanamine.
What is the SMILES notation for 2-[10-(furan-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl]ethanamine?
The canonical SMILES for 2-[10-(furan-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl]ethanamine is NCCc1c(-c2ccco2)nc2sc3c(n12)CCC3.
What is the InChIKey of 2-[10-(furan-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl]ethanamine?
The InChIKey is OAVBEHVRQNZXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c15-7-6-10-13(11-4-2-8-18-11)16-14-17(10)9-3-1-5-12(9)19-14/h2,4,8H,1,3,5-7,15H2.
What are the key properties of 2-[10-(furan-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl]ethanamine?
2-[10-(furan-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl]ethanamine has a molecular weight of 273.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[10-(furan-2-yl)-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl]ethanamine is sourced from PubChem (CID 82062761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).