(2S,3R)-3-(3,4-dimethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide

C17H19N3O5S — CID 157015784

IUPAC(2S,3R)-3-(3,4-dimethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide
SMILESCOc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCc2nccs2)cc1OC
InChIInChI=1S/C17H19N3O5S/c1-23-11-4-3-10(7-12(11)24-2)15-16(25-9-13(21)20-15)17(22)19-8-14-18-5-6-26-14/h3-7,15-16H,8-9H2,1-2H3,(H,19,22)(H,20,21)/t15-,16+/m1/s1
InChIKeyDUOKYELMTZDBJA-CVEARBPZSA-N
MW377.42 g/mol
LogP1.03
Rot. Bonds6

About (2S,3R)-3-(3,4-dimethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide

(2S,3R)-3-(3,4-dimethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide (PubChem CID 157015784) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is (2S,3R)-3-(3,4-dimethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-3-(3,4-dimethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide
PubChem CID157015784
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name(2S,3R)-3-(3,4-dimethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide
SMILESCOc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCc2nccs2)cc1OC
InChIInChI=1S/C17H19N3O5S/c1-23-11-4-3-10(7-12(11)24-2)15-16(25-9-13(21)20-15)17(22)19-8-14-18-5-6-26-14/h3-7,15-16H,8-9H2,1-2H3,(H,19,22)(H,20,21)/t15-,16+/m1/s1
InChIKeyDUOKYELMTZDBJA-CVEARBPZSA-N
XLogP1.03
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2S,3R)-3-(3,4-dimethoxyphenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-5-oxomorpholine-2-carboxamide
CID 157016978
(2S,3R)-3-(3,4-dimethoxyphenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-oxomorpholine-2-carboxamide
CID 157011786
(2S,3R)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-5-oxomorpholine-2-carboxamide
CID 134711907
(2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]-5-oxomorpholine-2-carboxamide
CID 134699254
(2S,3R)-3-(3,4-dimethoxyphenyl)-N-[2-(4-methyltriazol-1-yl)ethyl]-5-oxomorpholine-2-carboxamide
CID 157019253
(2S,3R)-3-(3,4-dimethoxyphenyl)-N-ethyl-5-oxo-N-(pyridin-4-ylmethyl)morpholine-2-carboxamide
CID 156584705
(2S,3R)-3-(3,4-dimethoxyphenyl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-5-oxomorpholine-2-carboxamide
CID 134713744
(2S,3R)-3-(3,4-dimethoxyphenyl)-N-methyl-5-oxo-N-piperidin-4-ylmorpholine-2-carboxamide
CID 134700108
5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-2-carboxamide
CID 110746410
5-oxo-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 78983445
2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 49356856
(3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94916816

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(3,4-dimethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide?
The IUPAC name of (2S,3R)-3-(3,4-dimethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide (CID 157015784) is (2S,3R)-3-(3,4-dimethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide.
What is the SMILES notation for (2S,3R)-3-(3,4-dimethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide?
The canonical SMILES for (2S,3R)-3-(3,4-dimethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide is COc1ccc([C@H]2NC(=O)CO[C@@H]2C(=O)NCc2nccs2)cc1OC.
What is the InChIKey of (2S,3R)-3-(3,4-dimethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide?
The InChIKey is DUOKYELMTZDBJA-CVEARBPZSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-23-11-4-3-10(7-12(11)24-2)15-16(25-9-13(21)20-15)17(22)19-8-14-18-5-6-26-14/h3-7,15-16H,8-9H2,1-2H3,(H,19,22)(H,20,21)/t15-,16+/m1/s1.
What are the key properties of (2S,3R)-3-(3,4-dimethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide?
(2S,3R)-3-(3,4-dimethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide has a molecular weight of 377.42 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(3,4-dimethoxyphenyl)-5-oxo-N-(1,3-thiazol-2-ylmethyl)morpholine-2-carboxamide is sourced from PubChem (CID 157015784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).