N-(1-oxo-2-azaspiro[4.5]decan-7-yl)-1,3-thiazole-2-carboxamide

C13H17N3O2S — CID 77279636

IUPACN-(1-oxo-2-azaspiro[4.5]decan-7-yl)-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CCCC2(CCNC2=O)C1)c1nccs1
InChIInChI=1S/C13H17N3O2S/c17-10(11-14-6-7-19-11)16-9-2-1-3-13(8-9)4-5-15-12(13)18/h6-7,9H,1-5,8H2,(H,15,18)(H,16,17)
InChIKeyDSHZVKYRGNXJTM-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.32
Rot. Bonds2

About N-(1-oxo-2-azaspiro[4.5]decan-7-yl)-1,3-thiazole-2-carboxamide

N-(1-oxo-2-azaspiro[4.5]decan-7-yl)-1,3-thiazole-2-carboxamide (PubChem CID 77279636) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(1-oxo-2-azaspiro[4.5]decan-7-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-(1-oxo-2-azaspiro[4.5]decan-7-yl)-1,3-thiazole-2-carboxamide
PubChem CID77279636
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC NameN-(1-oxo-2-azaspiro[4.5]decan-7-yl)-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CCCC2(CCNC2=O)C1)c1nccs1
InChIInChI=1S/C13H17N3O2S/c17-10(11-14-6-7-19-11)16-9-2-1-3-13(8-9)4-5-15-12(13)18/h6-7,9H,1-5,8H2,(H,15,18)(H,16,17)
InChIKeyDSHZVKYRGNXJTM-UHFFFAOYSA-N
XLogP1.32
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone
CID 10245529
(2S)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone
CID 44453458
(S)-N-((S)-6-amino-1-oxo-1-(thiazol-2-yl)hexan-2-yl)-1-((R)-2-amino-3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide
CID 10863550
(2R)-2-amino-2-cyclohexyl-1-[(2R)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone
CID 70685028
(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]ethanone
CID 70687196
(2R)-2-amino-2-cyclohexyl-1-[(2S)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone
CID 70687201
(2R)-2-amino-2-cyclohexyl-1-[(2R)-2-(1,3-thiazole-2-carbonyl)azetidin-1-yl]ethanone
CID 70697566
2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)-N-(2-(thiazol-2-yl)ethyl)acetamide
CID 60180585
1-(2-Methoxyethyl)-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one
CID 97397424
N-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxamide
CID 126830802
N-[(1S)-1-cyclohexyl-2-[(2S)-2-(cyclopentylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazole-2-carboxamide
CID 53361860
8-(1,3-Thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one
CID 97397394

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-2-azaspiro[4.5]decan-7-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-(1-oxo-2-azaspiro[4.5]decan-7-yl)-1,3-thiazole-2-carboxamide (CID 77279636) is N-(1-oxo-2-azaspiro[4.5]decan-7-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-(1-oxo-2-azaspiro[4.5]decan-7-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-(1-oxo-2-azaspiro[4.5]decan-7-yl)-1,3-thiazole-2-carboxamide is O=C(NC1CCCC2(CCNC2=O)C1)c1nccs1.
What is the InChIKey of N-(1-oxo-2-azaspiro[4.5]decan-7-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is DSHZVKYRGNXJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c17-10(11-14-6-7-19-11)16-9-2-1-3-13(8-9)4-5-15-12(13)18/h6-7,9H,1-5,8H2,(H,15,18)(H,16,17).
What are the key properties of N-(1-oxo-2-azaspiro[4.5]decan-7-yl)-1,3-thiazole-2-carboxamide?
N-(1-oxo-2-azaspiro[4.5]decan-7-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 279.36 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-2-azaspiro[4.5]decan-7-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 77279636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).