(5R)-8-(2-aminophenyl)-3-thiophen-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one

C15H14N6OS — CID 135881863

IUPAC(5R)-8-(2-aminophenyl)-3-thiophen-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one
SMILESNc1ccccc1C1=NN[C@]2(CC(c3cccs3)=NN2)C(=O)N1
InChIInChI=1S/C15H14N6OS/c16-10-5-2-1-4-9(10)13-17-14(22)15(21-19-13)8-11(18-20-15)12-6-3-7-23-12/h1-7,20-21H,8,16H2,(H,17,19,22)/t15-/m1/s1
InChIKeyLKEULAWYUYCAMN-OAHLLOKOSA-N
MW326.38 g/mol
LogP0.81
Rot. Bonds2

About (5R)-8-(2-aminophenyl)-3-thiophen-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one

(5R)-8-(2-aminophenyl)-3-thiophen-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one (PubChem CID 135881863) has the molecular formula C15H14N6OS and a molecular weight of 326.38 g/mol. Its IUPAC name is (5R)-8-(2-aminophenyl)-3-thiophen-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one.

Molecular Properties

Compound Name(5R)-8-(2-aminophenyl)-3-thiophen-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one
PubChem CID135881863
Molecular FormulaC15H14N6OS
Molecular Weight326.38 g/mol
Exact Mass326.09
IUPAC Name(5R)-8-(2-aminophenyl)-3-thiophen-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one
SMILESNc1ccccc1C1=NN[C@]2(CC(c3cccs3)=NN2)C(=O)N1
InChIInChI=1S/C15H14N6OS/c16-10-5-2-1-4-9(10)13-17-14(22)15(21-19-13)8-11(18-20-15)12-6-3-7-23-12/h1-7,20-21H,8,16H2,(H,17,19,22)/t15-/m1/s1
InChIKeyLKEULAWYUYCAMN-OAHLLOKOSA-N
XLogP0.81
TPSA103.90 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(5S)-3-phenyl-8-pyridin-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one
CID 136896335
2-(2-aminophenyl)-4-methyl-4-phenyl-1H-imidazol-5-one
CID 139822658
4,4-dimethyl-2-thiophen-2-yl-1H-imidazol-5-one
CID 106953389
1-amino-4-thiophen-2-ylanthracene-9,10-dione
CID 22278036
2-phenyl-4-thiophen-2-yl-2,3-dihydro-1H-1,5-benzodiazepine
CID 13085167
2-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 142643105
2-thiophen-2-ylbenzene-1,3-diamine
CID 69383856
4-methyl-4-propan-2-yl-2-thiophen-2-yl-1H-imidazol-5-one
CID 56639314
5-[4-(4-fluorophenyl)phenyl]-3-thiophen-2-yl-4,5-dihydro-1H-pyrazole
CID 18175524
5,5-dimethyl-2-thiophen-2-yl-4,6-dihydro-1,3-benzothiazol-7-one
CID 55032657
1-[[(3S)-3-(4-fluorophenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]methyl]indole-2,3-dione
CID 7677451
4-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2,5-oxadiazol-3-amine
CID 28907981

Frequently Asked Questions

What is the IUPAC name of (5R)-8-(2-aminophenyl)-3-thiophen-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one?
The IUPAC name of (5R)-8-(2-aminophenyl)-3-thiophen-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one (CID 135881863) is (5R)-8-(2-aminophenyl)-3-thiophen-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one.
What is the SMILES notation for (5R)-8-(2-aminophenyl)-3-thiophen-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one?
The canonical SMILES for (5R)-8-(2-aminophenyl)-3-thiophen-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one is Nc1ccccc1C1=NN[C@]2(CC(c3cccs3)=NN2)C(=O)N1.
What is the InChIKey of (5R)-8-(2-aminophenyl)-3-thiophen-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one?
The InChIKey is LKEULAWYUYCAMN-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14N6OS/c16-10-5-2-1-4-9(10)13-17-14(22)15(21-19-13)8-11(18-20-15)12-6-3-7-23-12/h1-7,20-21H,8,16H2,(H,17,19,22)/t15-/m1/s1.
What are the key properties of (5R)-8-(2-aminophenyl)-3-thiophen-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one?
(5R)-8-(2-aminophenyl)-3-thiophen-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one has a molecular weight of 326.38 g/mol, XLogP of 0.81, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-8-(2-aminophenyl)-3-thiophen-2-yl-1,2,6,7,9-pentazaspiro[4.5]deca-2,7-dien-10-one is sourced from PubChem (CID 135881863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).