N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide

C25H25N7O2S — CID 162688096

IUPACN-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CCC4(CC3)CNC(=O)N4)nc2-c2cccc(C#N)c2)cc(C)n1
InChIInChI=1S/C25H25N7O2S/c1-15-10-19(11-16(2)28-15)21-20(18-5-3-4-17(12-18)13-26)29-23(35-21)30-24(34)32-8-6-25(7-9-32)14-27-22(33)31-25/h3-5,10-12H,6-9,14H2,1-2H3,(H2,27,31,33)(H,29,30,34)
InChIKeyHAAACELZCOCTLG-UHFFFAOYSA-N
MW487.59 g/mol
LogP4.04
Rot. Bonds3

About N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide

N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide (PubChem CID 162688096) has the molecular formula C25H25N7O2S and a molecular weight of 487.59 g/mol. Its IUPAC name is N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
PubChem CID162688096
Molecular FormulaC25H25N7O2S
Molecular Weight487.59 g/mol
Exact Mass487.18
IUPAC NameN-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CCC4(CC3)CNC(=O)N4)nc2-c2cccc(C#N)c2)cc(C)n1
InChIInChI=1S/C25H25N7O2S/c1-15-10-19(11-16(2)28-15)21-20(18-5-3-4-17(12-18)13-26)29-23(35-21)30-24(34)32-8-6-25(7-9-32)14-27-22(33)31-25/h3-5,10-12H,6-9,14H2,1-2H3,(H2,27,31,33)(H,29,30,34)
InChIKeyHAAACELZCOCTLG-UHFFFAOYSA-N
XLogP4.04
TPSA123.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.59
LogP ≤ 54.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide (CID 162688096) is N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide is Cc1cc(-c2sc(NC(=O)N3CCC4(CC3)CNC(=O)N4)nc2-c2cccc(C#N)c2)cc(C)n1.
What is the InChIKey of N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
The InChIKey is HAAACELZCOCTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O2S/c1-15-10-19(11-16(2)28-15)21-20(18-5-3-4-17(12-18)13-26)29-23(35-21)30-24(34)32-8-6-25(7-9-32)14-27-22(33)31-25/h3-5,10-12H,6-9,14H2,1-2H3,(H2,27,31,33)(H,29,30,34).
What are the key properties of N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide?
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide has a molecular weight of 487.59 g/mol, XLogP of 4.04, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-2-oxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 162688096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).