N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide

C25H26N6O2S — CID 162688148

IUPACN-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CCC4(COCCN4)C3)nc2-c2cccc(C#N)c2)cc(C)n1
InChIInChI=1S/C25H26N6O2S/c1-16-10-20(11-17(2)28-16)22-21(19-5-3-4-18(12-19)13-26)29-23(34-22)30-24(32)31-8-6-25(14-31)15-33-9-7-27-25/h3-5,10-12,27H,6-9,14-15H2,1-2H3,(H,29,30,32)
InChIKeyGFEMSLCOMREKOW-UHFFFAOYSA-N
MW474.59 g/mol
LogP3.96
Rot. Bonds3

About N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide

N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 162688148) has the molecular formula C25H26N6O2S and a molecular weight of 474.59 g/mol. Its IUPAC name is N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide
PubChem CID162688148
Molecular FormulaC25H26N6O2S
Molecular Weight474.59 g/mol
Exact Mass474.18
IUPAC NameN-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide
SMILESCc1cc(-c2sc(NC(=O)N3CCC4(COCCN4)C3)nc2-c2cccc(C#N)c2)cc(C)n1
InChIInChI=1S/C25H26N6O2S/c1-16-10-20(11-17(2)28-16)22-21(19-5-3-4-18(12-19)13-26)29-23(34-22)30-24(32)31-8-6-25(14-31)15-33-9-7-27-25/h3-5,10-12,27H,6-9,14-15H2,1-2H3,(H,29,30,32)
InChIKeyGFEMSLCOMREKOW-UHFFFAOYSA-N
XLogP3.96
TPSA103.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.59
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-9-oxa-2,6-diazaspiro[4.5]decane-2-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]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide (CID 162688148) is N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide is Cc1cc(-c2sc(NC(=O)N3CCC4(COCCN4)C3)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]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is GFEMSLCOMREKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2S/c1-16-10-20(11-17(2)28-16)22-21(19-5-3-4-18(12-19)13-26)29-23(34-22)30-24(32)31-8-6-25(14-31)15-33-9-7-27-25/h3-5,10-12,27H,6-9,14-15H2,1-2H3,(H,29,30,32).
What are the key properties of N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide?
N-[4-(3-cyanophenyl)-5-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-2-yl]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 474.59 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 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]-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 162688148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).