(4S)-3-acetyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,3-thiazolidine-4-carboxamide

C16H27N3O4S — CID 52529855

IUPAC(4S)-3-acetyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1
InChIInChI=1S/C16H27N3O4S/c1-12(20)19-11-24-10-15(19)16(21)17-8-14(13-2-5-23-9-13)18-3-6-22-7-4-18/h13-15H,2-11H2,1H3,(H,17,21)/t13-,14+,15-/m1/s1
InChIKeyCEIBZWDQSYWKMZ-QLFBSQMISA-N
MW357.48 g/mol
LogP-0.24
Rot. Bonds5

About (4S)-3-acetyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,3-thiazolidine-4-carboxamide

(4S)-3-acetyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 52529855) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is (4S)-3-acetyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-acetyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,3-thiazolidine-4-carboxamide
PubChem CID52529855
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC Name(4S)-3-acetyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,3-thiazolidine-4-carboxamide
SMILESCC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1
InChIInChI=1S/C16H27N3O4S/c1-12(20)19-11-24-10-15(19)16(21)17-8-14(13-2-5-23-9-13)18-3-6-22-7-4-18/h13-15H,2-11H2,1H3,(H,17,21)/t13-,14+,15-/m1/s1
InChIKeyCEIBZWDQSYWKMZ-QLFBSQMISA-N
XLogP-0.24
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-2-phenylbutanamide
CID 94150246
cis-(1S,2R)-2-methyl-N-[3-[[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]amino]-3-oxopropyl]cyclopropane-1-carboxamide
CID 124738964
2,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]thiophene-3-carboxamide
CID 94083341
3-acetyl-N-[2-(methylamino)propyl]-1,3-thiazolidine-4-carboxamide
CID 120831919
1-(benzenesulfonyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]piperidine-2-carboxamide
CID 55641996
N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94083431
2-(4-methylphenyl)-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]acetamide
CID 94150138
5-ethyl-N-[(2S)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]thiophene-2-carboxamide
CID 94021730
5-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 94022952
1-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-3-(2-thiophen-2-ylethyl)urea
CID 55590618
tert-butyl N-[4-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-4-oxobutyl]carbamate
CID 55603240
tert-butyl N-[3-[[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]amino]-3-oxopropyl]carbamate
CID 55603155

Frequently Asked Questions

What is the IUPAC name of (4S)-3-acetyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4S)-3-acetyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,3-thiazolidine-4-carboxamide (CID 52529855) is (4S)-3-acetyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-acetyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-acetyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,3-thiazolidine-4-carboxamide is CC(=O)N1CSC[C@@H]1C(=O)NC[C@@H]([C@@H]1CCOC1)N1CCOCC1.
What is the InChIKey of (4S)-3-acetyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is CEIBZWDQSYWKMZ-QLFBSQMISA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-12(20)19-11-24-10-15(19)16(21)17-8-14(13-2-5-23-9-13)18-3-6-22-7-4-18/h13-15H,2-11H2,1H3,(H,17,21)/t13-,14+,15-/m1/s1.
What are the key properties of (4S)-3-acetyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,3-thiazolidine-4-carboxamide?
(4S)-3-acetyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 357.48 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-acetyl-N-[(2R)-2-morpholin-4-yl-2-[(3S)-oxolan-3-yl]ethyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 52529855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).