4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C20H25N5O2S — CID 22559572

IUPAC4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCC(C)c1cnc(NC(=O)N2CCC3(CC2)C(=O)NCN3c2ccccc2)s1
InChIInChI=1S/C20H25N5O2S/c1-14(2)16-12-21-18(28-16)23-19(27)24-10-8-20(9-11-24)17(26)22-13-25(20)15-6-4-3-5-7-15/h3-7,12,14H,8-11,13H2,1-2H3,(H,22,26)(H,21,23,27)
InChIKeyKKSDRSJZEUQULO-UHFFFAOYSA-N
MW399.52 g/mol
LogP3.23
Rot. Bonds3

About 4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide

4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 22559572) has the molecular formula C20H25N5O2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound Name4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID22559572
Molecular FormulaC20H25N5O2S
Molecular Weight399.52 g/mol
Exact Mass399.17
IUPAC Name4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCC(C)c1cnc(NC(=O)N2CCC3(CC2)C(=O)NCN3c2ccccc2)s1
InChIInChI=1S/C20H25N5O2S/c1-14(2)16-12-21-18(28-16)23-19(27)24-10-8-20(9-11-24)17(26)22-13-25(20)15-6-4-3-5-7-15/h3-7,12,14H,8-11,13H2,1-2H3,(H,22,26)(H,21,23,27)
InChIKeyKKSDRSJZEUQULO-UHFFFAOYSA-N
XLogP3.23
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of 4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 22559572) is 4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for 4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for 4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide is CC(C)c1cnc(NC(=O)N2CCC3(CC2)C(=O)NCN3c2ccccc2)s1.
What is the InChIKey of 4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is KKSDRSJZEUQULO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2S/c1-14(2)16-12-21-18(28-16)23-19(27)24-10-8-20(9-11-24)17(26)22-13-25(20)15-6-4-3-5-7-15/h3-7,12,14H,8-11,13H2,1-2H3,(H,22,26)(H,21,23,27).
What are the key properties of 4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 399.52 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-1-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 22559572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).