2-(10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl)ethanamine

C15H16N4S — CID 82062759

IUPAC2-(10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl)ethanamine
SMILESNCCc1c(-c2cccnc2)nc2sc3c(n12)CCC3
InChIInChI=1S/C15H16N4S/c16-7-6-12-14(10-3-2-8-17-9-10)18-15-19(12)11-4-1-5-13(11)20-15/h2-3,8-9H,1,4-7,16H2
InChIKeyFKUANRYTUVHRGE-UHFFFAOYSA-N
MW284.39 g/mol
LogP2.45
Rot. Bonds3

About 2-(10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl)ethanamine

2-(10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl)ethanamine (PubChem CID 82062759) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-(10-pyridin-3-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-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl)ethanamine
PubChem CID82062759
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name2-(10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl)ethanamine
SMILESNCCc1c(-c2cccnc2)nc2sc3c(n12)CCC3
InChIInChI=1S/C15H16N4S/c16-7-6-12-14(10-3-2-8-17-9-10)18-15-19(12)11-4-1-5-13(11)20-15/h2-3,8-9H,1,4-7,16H2
InChIKeyFKUANRYTUVHRGE-UHFFFAOYSA-N
XLogP2.45
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
CID 93211194
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
[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
[2-(4-propan-2-ylphenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl]methanamine
CID 39197114
10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 83086528
10,11-diphenyl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-triene
CID 10829218
2-(3-pyridin-3-yl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazol-5-yl)ethanamine
CID 82062562
2-(4-pyridin-3-yl-2-pyridin-4-yl-1,3-thiazol-5-yl)ethanamine
CID 82069621
N-[(2-phenyl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)methylideneamino]pyridine-3-carboxamide
CID 67624379
2-(6,8-dichloro-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)ethanamine
CID 93206650
2-(2-pyridin-2-yl-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazol-1-yl)acetic acid
CID 93211196

Frequently Asked Questions

What is the IUPAC name of 2-(10-pyridin-3-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-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl)ethanamine (CID 82062759) is 2-(10-pyridin-3-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-pyridin-3-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-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl)ethanamine is NCCc1c(-c2cccnc2)nc2sc3c(n12)CCC3.
What is the InChIKey of 2-(10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl)ethanamine?
The InChIKey is FKUANRYTUVHRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c16-7-6-12-14(10-3-2-8-17-9-10)18-15-19(12)11-4-1-5-13(11)20-15/h2-3,8-9H,1,4-7,16H2.
What are the key properties of 2-(10-pyridin-3-yl-7-thia-1,9-diazatricyclo[6.3.0.02,6]undeca-2(6),8,10-trien-11-yl)ethanamine?
2-(10-pyridin-3-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 284.39 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(10-pyridin-3-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 82062759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).