(4S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

C16H22N2O3S — CID 125166297

IUPAC(4S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESCCc1csc(CCNC(=O)[C@H]2CC(=O)OC23CCCC3)n1
InChIInChI=1S/C16H22N2O3S/c1-2-11-10-22-13(18-11)5-8-17-15(20)12-9-14(19)21-16(12)6-3-4-7-16/h10,12H,2-9H2,1H3,(H,17,20)/t12-/m1/s1
InChIKeyKYXHTWZGPMOICY-GFCCVEGCSA-N
MW322.43 g/mol
LogP2.24
Rot. Bonds5

About (4S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

(4S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (PubChem CID 125166297) has the molecular formula C16H22N2O3S and a molecular weight of 322.43 g/mol. Its IUPAC name is (4S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
PubChem CID125166297
Molecular FormulaC16H22N2O3S
Molecular Weight322.43 g/mol
Exact Mass322.14
IUPAC Name(4S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
SMILESCCc1csc(CCNC(=O)[C@H]2CC(=O)OC23CCCC3)n1
InChIInChI=1S/C16H22N2O3S/c1-2-11-10-22-13(18-11)5-8-17-15(20)12-9-14(19)21-16(12)6-3-4-7-16/h10,12H,2-9H2,1H3,(H,17,20)/t12-/m1/s1
InChIKeyKYXHTWZGPMOICY-GFCCVEGCSA-N
XLogP2.24
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide with MolForge

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Related Compounds

(4R)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1-oxaspiro[4.5]decane-4-carboxamide
CID 125445382
N-[2-(1-methylpyrrol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131927808
1-cyclopropyl-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70723259
(4R)-N-(1,3-benzothiazol-2-ylmethyl)-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125165859
N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 131907170
(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-8-methoxy-3,4-dihydro-2H-chromene-3-carboxamide
CID 97139845
(3S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 25395779
(3R)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 25395775
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 118769180
N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 45169229
1-cyclopropyl-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 70772226
2-(4-ethyl-1,3-thiazol-2-yl)-N-methylacetamide
CID 131039339

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The IUPAC name of (4S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide (CID 125166297) is (4S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide.
What is the SMILES notation for (4S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The canonical SMILES for (4S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is CCc1csc(CCNC(=O)[C@H]2CC(=O)OC23CCCC3)n1.
What is the InChIKey of (4S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
The InChIKey is KYXHTWZGPMOICY-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H22N2O3S/c1-2-11-10-22-13(18-11)5-8-17-15(20)12-9-14(19)21-16(12)6-3-4-7-16/h10,12H,2-9H2,1H3,(H,17,20)/t12-/m1/s1.
What are the key properties of (4S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide?
(4S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide has a molecular weight of 322.43 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide is sourced from PubChem (CID 125166297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).