1-(ethylamino)-1-(1,3-thiazol-2-yl)-2,5,6,7,8,8a-hexahydroindolizin-3-one

C13H19N3OS — CID 114239109

IUPAC1-(ethylamino)-1-(1,3-thiazol-2-yl)-2,5,6,7,8,8a-hexahydroindolizin-3-one
SMILESCCNC1(c2nccs2)CC(=O)N2CCCCC21
InChIInChI=1S/C13H19N3OS/c1-2-15-13(12-14-6-8-18-12)9-11(17)16-7-4-3-5-10(13)16/h6,8,10,15H,2-5,7,9H2,1H3
InChIKeyGZMWCRGCCKXTKC-UHFFFAOYSA-N
MW265.38 g/mol
LogP1.73
Rot. Bonds3

About 1-(ethylamino)-1-(1,3-thiazol-2-yl)-2,5,6,7,8,8a-hexahydroindolizin-3-one

1-(ethylamino)-1-(1,3-thiazol-2-yl)-2,5,6,7,8,8a-hexahydroindolizin-3-one (PubChem CID 114239109) has the molecular formula C13H19N3OS and a molecular weight of 265.38 g/mol. Its IUPAC name is 1-(ethylamino)-1-(1,3-thiazol-2-yl)-2,5,6,7,8,8a-hexahydroindolizin-3-one.

Molecular Properties

Compound Name1-(ethylamino)-1-(1,3-thiazol-2-yl)-2,5,6,7,8,8a-hexahydroindolizin-3-one
PubChem CID114239109
Molecular FormulaC13H19N3OS
Molecular Weight265.38 g/mol
Exact Mass265.12
IUPAC Name1-(ethylamino)-1-(1,3-thiazol-2-yl)-2,5,6,7,8,8a-hexahydroindolizin-3-one
SMILESCCNC1(c2nccs2)CC(=O)N2CCCCC21
InChIInChI=1S/C13H19N3OS/c1-2-15-13(12-14-6-8-18-12)9-11(17)16-7-4-3-5-10(13)16/h6,8,10,15H,2-5,7,9H2,1H3
InChIKeyGZMWCRGCCKXTKC-UHFFFAOYSA-N
XLogP1.73
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Cyclohexyl-[4-[1-(1,3-thiazol-2-yl)ethylamino]piperidin-1-yl]methanone
CID 84595435
Cyclopentyl-[4-[2-[1-(1,3-thiazol-2-yl)ethylamino]ethyl]piperazin-1-yl]methanone
CID 84595438
(5S,10S)-10-ethyl-1-methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 97375552
1-Ethyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 118745116
1-Methyl-9-(1,3-thiazol-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
CID 118745118
(4R,8R)-N,N-diethyl-1-methyl-2-oxo-8-(1,3-thiazol-2-ylmethylamino)azonane-4-carboxamide
CID 75411824
2-cyclopentyl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]acetamide
CID 99630331
N-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-3-carboxamide
CID 126830266
N-(1,3-thiazol-2-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-5-carboxamide
CID 126830802
1-methyl-5-oxo-N-[1-(1,3-thiazol-2-yl)cyclopentyl]pyrrolidine-3-carboxamide
CID 75533499
8-(1,3-Thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one
CID 97397394
1-Prop-2-enyl-8-(1,3-thiazol-2-ylmethylamino)-1-azaspiro[4.5]decan-2-one
CID 97494229

Frequently Asked Questions

What is the IUPAC name of 1-(ethylamino)-1-(1,3-thiazol-2-yl)-2,5,6,7,8,8a-hexahydroindolizin-3-one?
The IUPAC name of 1-(ethylamino)-1-(1,3-thiazol-2-yl)-2,5,6,7,8,8a-hexahydroindolizin-3-one (CID 114239109) is 1-(ethylamino)-1-(1,3-thiazol-2-yl)-2,5,6,7,8,8a-hexahydroindolizin-3-one.
What is the SMILES notation for 1-(ethylamino)-1-(1,3-thiazol-2-yl)-2,5,6,7,8,8a-hexahydroindolizin-3-one?
The canonical SMILES for 1-(ethylamino)-1-(1,3-thiazol-2-yl)-2,5,6,7,8,8a-hexahydroindolizin-3-one is CCNC1(c2nccs2)CC(=O)N2CCCCC21.
What is the InChIKey of 1-(ethylamino)-1-(1,3-thiazol-2-yl)-2,5,6,7,8,8a-hexahydroindolizin-3-one?
The InChIKey is GZMWCRGCCKXTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3OS/c1-2-15-13(12-14-6-8-18-12)9-11(17)16-7-4-3-5-10(13)16/h6,8,10,15H,2-5,7,9H2,1H3.
What are the key properties of 1-(ethylamino)-1-(1,3-thiazol-2-yl)-2,5,6,7,8,8a-hexahydroindolizin-3-one?
1-(ethylamino)-1-(1,3-thiazol-2-yl)-2,5,6,7,8,8a-hexahydroindolizin-3-one has a molecular weight of 265.38 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-1-(1,3-thiazol-2-yl)-2,5,6,7,8,8a-hexahydroindolizin-3-one is sourced from PubChem (CID 114239109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).