(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone

C18H30N4O3S — CID 70776043

IUPAC(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCCc1nc(N)sc1C(=O)N1C[C@@H](CN2C[C@@H](C)O[C@@H](C)C2)[C@@H](CO)C1
InChIInChI=1S/C18H30N4O3S/c1-4-15-16(26-18(19)20-15)17(24)22-8-13(14(9-22)10-23)7-21-5-11(2)25-12(3)6-21/h11-14,23H,4-10H2,1-3H3,(H2,19,20)/t11-,12+,13-,14-/m1/s1
InChIKeyPEDXXSNZFDYSCL-XJFOESAGSA-N
MW382.53 g/mol
LogP1.08
Rot. Bonds5

About (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone

(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 70776043) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID70776043
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCCc1nc(N)sc1C(=O)N1C[C@@H](CN2C[C@@H](C)O[C@@H](C)C2)[C@@H](CO)C1
InChIInChI=1S/C18H30N4O3S/c1-4-15-16(26-18(19)20-15)17(24)22-8-13(14(9-22)10-23)7-21-5-11(2)25-12(3)6-21/h11-14,23H,4-10H2,1-3H3,(H2,19,20)/t11-,12+,13-,14-/m1/s1
InChIKeyPEDXXSNZFDYSCL-XJFOESAGSA-N
XLogP1.08
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(2-amino-4-methyl-1,3-thiazol-5-yl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62792174
1-[5-[(3S,4S)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidine-1-carbonyl]thiophen-2-yl]ethanone
CID 133113689
(5-chlorothiophen-2-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 70779496
[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 70761278
[(3S,4S)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 133122009
methyl 1-(2-amino-4-ethyl-1,3-thiazole-5-carbonyl)piperidine-4-carboxylate
CID 171703961
5-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidine-1-carbonyl]-1,2-oxazol-3-one
CID 72919936
4-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidine-1-carbonyl]-1-ethylpyridin-2-one
CID 70707207
1,3-benzodioxol-5-yl-[(3S,4S)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 133109841
(3R,4R)-N-tert-butyl-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 72878889
3-cyclopropyl-1-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 72929038
1-[(3R,4R)-3-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)phenyl]ethanone
CID 70787109

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 70776043) is (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone is CCc1nc(N)sc1C(=O)N1C[C@@H](CN2C[C@@H](C)O[C@@H](C)C2)[C@@H](CO)C1.
What is the InChIKey of (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is PEDXXSNZFDYSCL-XJFOESAGSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-4-15-16(26-18(19)20-15)17(24)22-8-13(14(9-22)10-23)7-21-5-11(2)25-12(3)6-21/h11-14,23H,4-10H2,1-3H3,(H2,19,20)/t11-,12+,13-,14-/m1/s1.
What are the key properties of (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 382.53 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-ethyl-1,3-thiazol-5-yl)-[(3R,4R)-3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-4-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 70776043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).