2,9-diazaspiro[4.5]decan-2-yl-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone

C27H29N3O3S — CID 71292756

IUPAC2,9-diazaspiro[4.5]decan-2-yl-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)N1CCC2(CCCNC2)C1
InChIInChI=1S/C27H29N3O3S/c31-25(30-14-12-27(18-30)11-4-13-28-17-27)24-16-29-26(34-24)32-21-8-10-23-20(15-21)7-9-22(33-23)19-5-2-1-3-6-19/h1-3,5-6,8,10,15-16,22,28H,4,7,9,11-14,17-18H2/t22-,27?/m0/s1
InChIKeyGGGSFOJNKZODEW-YMQLSTQVSA-N
MW475.61 g/mol
LogP5.22
Rot. Bonds4

About 2,9-diazaspiro[4.5]decan-2-yl-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone

2,9-diazaspiro[4.5]decan-2-yl-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone (PubChem CID 71292756) has the molecular formula C27H29N3O3S and a molecular weight of 475.61 g/mol. Its IUPAC name is 2,9-diazaspiro[4.5]decan-2-yl-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone.

Molecular Properties

Compound Name2,9-diazaspiro[4.5]decan-2-yl-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone
PubChem CID71292756
Molecular FormulaC27H29N3O3S
Molecular Weight475.61 g/mol
Exact Mass475.19
IUPAC Name2,9-diazaspiro[4.5]decan-2-yl-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone
SMILESO=C(c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)N1CCC2(CCCNC2)C1
InChIInChI=1S/C27H29N3O3S/c31-25(30-14-12-27(18-30)11-4-13-28-17-27)24-16-29-26(34-24)32-21-8-10-23-20(15-21)7-9-22(33-23)19-5-2-1-3-6-19/h1-3,5-6,8,10,15-16,22,28H,4,7,9,11-14,17-18H2/t22-,27?/m0/s1
InChIKeyGGGSFOJNKZODEW-YMQLSTQVSA-N
XLogP5.22
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.61
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,9-diazaspiro[4.5]decan-2-yl-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,9-diazaspiro[4.5]decan-2-yl-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone?
The IUPAC name of 2,9-diazaspiro[4.5]decan-2-yl-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone (CID 71292756) is 2,9-diazaspiro[4.5]decan-2-yl-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone.
What is the SMILES notation for 2,9-diazaspiro[4.5]decan-2-yl-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone?
The canonical SMILES for 2,9-diazaspiro[4.5]decan-2-yl-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone is O=C(c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)N1CCC2(CCCNC2)C1.
What is the InChIKey of 2,9-diazaspiro[4.5]decan-2-yl-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone?
The InChIKey is GGGSFOJNKZODEW-YMQLSTQVSA-N. The full InChI is InChI=1S/C27H29N3O3S/c31-25(30-14-12-27(18-30)11-4-13-28-17-27)24-16-29-26(34-24)32-21-8-10-23-20(15-21)7-9-22(33-23)19-5-2-1-3-6-19/h1-3,5-6,8,10,15-16,22,28H,4,7,9,11-14,17-18H2/t22-,27?/m0/s1.
What are the key properties of 2,9-diazaspiro[4.5]decan-2-yl-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone?
2,9-diazaspiro[4.5]decan-2-yl-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone has a molecular weight of 475.61 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diazaspiro[4.5]decan-2-yl-[2-[[(2S)-2-phenyl-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazol-5-yl]methanone is sourced from PubChem (CID 71292756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).