(5S)-7-(cyclohexylmethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

C19H27N3O2S — CID 26315216

IUPAC(5S)-7-(cyclohexylmethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1cscn1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C19H27N3O2S/c23-17(16-12-25-14-20-16)22-10-8-19(13-22)7-4-9-21(18(19)24)11-15-5-2-1-3-6-15/h12,14-15H,1-11,13H2/t19-/m0/s1
InChIKeyZTWGAVMXPLXVGB-IBGZPJMESA-N
MW361.51 g/mol
LogP3.18
Rot. Bonds3

About (5S)-7-(cyclohexylmethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

(5S)-7-(cyclohexylmethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 26315216) has the molecular formula C19H27N3O2S and a molecular weight of 361.51 g/mol. Its IUPAC name is (5S)-7-(cyclohexylmethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5S)-7-(cyclohexylmethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID26315216
Molecular FormulaC19H27N3O2S
Molecular Weight361.51 g/mol
Exact Mass361.18
IUPAC Name(5S)-7-(cyclohexylmethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C(c1cscn1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1
InChIInChI=1S/C19H27N3O2S/c23-17(16-12-25-14-20-16)22-10-8-19(13-22)7-4-9-21(18(19)24)11-15-5-2-1-3-6-15/h12,14-15H,1-11,13H2/t19-/m0/s1
InChIKeyZTWGAVMXPLXVGB-IBGZPJMESA-N
XLogP3.18
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-(cyclohexylmethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5S)-7-(cyclohexylmethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one (CID 26315216) is (5S)-7-(cyclohexylmethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5S)-7-(cyclohexylmethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5S)-7-(cyclohexylmethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is O=C(c1cscn1)N1CC[C@@]2(CCCN(CC3CCCCC3)C2=O)C1.
What is the InChIKey of (5S)-7-(cyclohexylmethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ZTWGAVMXPLXVGB-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27N3O2S/c23-17(16-12-25-14-20-16)22-10-8-19(13-22)7-4-9-21(18(19)24)11-15-5-2-1-3-6-15/h12,14-15H,1-11,13H2/t19-/m0/s1.
What are the key properties of (5S)-7-(cyclohexylmethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one?
(5S)-7-(cyclohexylmethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 361.51 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-(cyclohexylmethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 26315216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).