(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone

C16H25N3O3S — CID 71871966

IUPAC(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
SMILESCCC1CN(C(=O)c2csc(COC)n2)CC1N1CCOCC1
InChIInChI=1S/C16H25N3O3S/c1-3-12-8-19(9-14(12)18-4-6-22-7-5-18)16(20)13-11-23-15(17-13)10-21-2/h11-12,14H,3-10H2,1-2H3
InChIKeyHEJGOYIJHPQXHX-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.47
Rot. Bonds5

About (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone

(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone (PubChem CID 71871966) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
PubChem CID71871966
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
SMILESCCC1CN(C(=O)c2csc(COC)n2)CC1N1CCOCC1
InChIInChI=1S/C16H25N3O3S/c1-3-12-8-19(9-14(12)18-4-6-22-7-5-18)16(20)13-11-23-15(17-13)10-21-2/h11-12,14H,3-10H2,1-2H3
InChIKeyHEJGOYIJHPQXHX-UHFFFAOYSA-N
XLogP1.47
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-(2-morpholin-4-ylmethylthiazol-4-yl)-methanone
CID 11530172
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CID 50960786
Ethyl 4-[[4-(2-methylpropanoylamino)piperidin-1-yl]methyl]-1,3-thiazole-2-carboxylate
CID 51087087
8-[(2-Methyl-1,3-thiazol-4-yl)carbonyl]-2-(tetrahydro-2-furanylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72880597
N-[(3R*,4R*)-4-(4-methyl-1-piperazinyl)tetrahydro-3-furanyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72933096
8-(2-Methoxyethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 97493850
(4aR,7aR)-4-(cyclopentylmethyl)-6-(1,3-thiazole-4-carbonyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 97508901
8-[(2-Isopropyl-1,3-thiazol-4-yl)carbonyl]-3-(1-methylbutyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70705036
((3R*,4R*)-1-[(2-isopropyl-1,3-thiazol-4-yl)carbonyl]-4-{[(2-methoxyethyl)(methyl)amino]methyl}pyrrolidin-3-yl)methanol
CID 72914753
(3S*,4R*)-1-({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}carbonyl)-3-methoxypiperidin-4-amine
CID 56861480
N-[rel-(3R,4S)-4-isopropyl-1-(tetrahydro-2H-pyran-4-yl)-3-pyrrolidinyl]-2-methyl-1,3-thiazole-4-carboxamide hydrochloride
CID 72880854
4-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]-L-prolyl}morpholine
CID 91841083

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone?
The IUPAC name of (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone (CID 71871966) is (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone.
What is the SMILES notation for (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone?
The canonical SMILES for (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone is CCC1CN(C(=O)c2csc(COC)n2)CC1N1CCOCC1.
What is the InChIKey of (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone?
The InChIKey is HEJGOYIJHPQXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-12-8-19(9-14(12)18-4-6-22-7-5-18)16(20)13-11-23-15(17-13)10-21-2/h11-12,14H,3-10H2,1-2H3.
What are the key properties of (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone?
(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone has a molecular weight of 339.46 g/mol, XLogP of 1.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 71871966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).