(3-ethoxypiperidin-1-yl)-(2-ethyl-1,3-thiazol-5-yl)methanone

C13H20N2O2S — CID 48580337

IUPAC(3-ethoxypiperidin-1-yl)-(2-ethyl-1,3-thiazol-5-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cnc(CC)s2)C1
InChIInChI=1S/C13H20N2O2S/c1-3-12-14-8-11(18-12)13(16)15-7-5-6-10(9-15)17-4-2/h8,10H,3-7,9H2,1-2H3
InChIKeyMTGCYAMKNZOSIQ-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.35
Rot. Bonds4

About (3-ethoxypiperidin-1-yl)-(2-ethyl-1,3-thiazol-5-yl)methanone

(3-ethoxypiperidin-1-yl)-(2-ethyl-1,3-thiazol-5-yl)methanone (PubChem CID 48580337) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (3-ethoxypiperidin-1-yl)-(2-ethyl-1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name(3-ethoxypiperidin-1-yl)-(2-ethyl-1,3-thiazol-5-yl)methanone
PubChem CID48580337
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(3-ethoxypiperidin-1-yl)-(2-ethyl-1,3-thiazol-5-yl)methanone
SMILESCCOC1CCCN(C(=O)c2cnc(CC)s2)C1
InChIInChI=1S/C13H20N2O2S/c1-3-12-14-8-11(18-12)13(16)15-7-5-6-10(9-15)17-4-2/h8,10H,3-7,9H2,1-2H3
InChIKeyMTGCYAMKNZOSIQ-UHFFFAOYSA-N
XLogP2.35
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Tert-butyl-1,3-thiazol-5-yl)-[2-(methoxymethyl)morpholin-4-yl]methanone
CID 72126678
(2-tert-butyl-1,3-thiazol-5-yl)-[(6S)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 129367238
2-[(1S)-1-ethoxyethyl]-N-[2-(1-methoxycyclobutyl)ethyl]-1,3-thiazole-5-carboxamide
CID 164632739
[2-(2,2-dimethylpropyl)-1,3-thiazol-5-yl]-[(5R)-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 164635178
2-acetyl-N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazole-5-carboxamide
CID 164641873
N-(oxan-3-yl)-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 75386298
N-[(3R)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 97237830
N-[(3S)-oxan-3-yl]-2-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 97237831
(2-Ethyl-1,3-thiazol-5-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 112329378
(2-Propyl-1,3-thiazol-5-yl)-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 112329393
[(2S,4R)-4-fluoro-1-(2-methyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 132375332
(3,3-Difluoro-5-hydroxypiperidin-1-yl)-[2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone
CID 138027178

Frequently Asked Questions

What is the IUPAC name of (3-ethoxypiperidin-1-yl)-(2-ethyl-1,3-thiazol-5-yl)methanone?
The IUPAC name of (3-ethoxypiperidin-1-yl)-(2-ethyl-1,3-thiazol-5-yl)methanone (CID 48580337) is (3-ethoxypiperidin-1-yl)-(2-ethyl-1,3-thiazol-5-yl)methanone.
What is the SMILES notation for (3-ethoxypiperidin-1-yl)-(2-ethyl-1,3-thiazol-5-yl)methanone?
The canonical SMILES for (3-ethoxypiperidin-1-yl)-(2-ethyl-1,3-thiazol-5-yl)methanone is CCOC1CCCN(C(=O)c2cnc(CC)s2)C1.
What is the InChIKey of (3-ethoxypiperidin-1-yl)-(2-ethyl-1,3-thiazol-5-yl)methanone?
The InChIKey is MTGCYAMKNZOSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-12-14-8-11(18-12)13(16)15-7-5-6-10(9-15)17-4-2/h8,10H,3-7,9H2,1-2H3.
What are the key properties of (3-ethoxypiperidin-1-yl)-(2-ethyl-1,3-thiazol-5-yl)methanone?
(3-ethoxypiperidin-1-yl)-(2-ethyl-1,3-thiazol-5-yl)methanone has a molecular weight of 268.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxypiperidin-1-yl)-(2-ethyl-1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 48580337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).