(2R)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide

C15H23N3O4S — CID 100745557

IUPAC(2R)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCc1csc([C@H]2CN(C(=O)NCCC3(C)OCCO3)CCO2)n1
InChIInChI=1S/C15H23N3O4S/c1-11-10-23-13(17-11)12-9-18(5-6-20-12)14(19)16-4-3-15(2)21-7-8-22-15/h10,12H,3-9H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyVJUQJBOMRUNWQE-GFCCVEGCSA-N
MW341.43 g/mol
LogP1.69
Rot. Bonds4

About (2R)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide

(2R)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (PubChem CID 100745557) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is (2R)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
PubChem CID100745557
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name(2R)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
SMILESCc1csc([C@H]2CN(C(=O)NCCC3(C)OCCO3)CCO2)n1
InChIInChI=1S/C15H23N3O4S/c1-11-10-23-13(17-11)12-9-18(5-6-20-12)14(19)16-4-3-15(2)21-7-8-22-15/h10,12H,3-9H2,1-2H3,(H,16,19)/t12-/m1/s1
InChIKeyVJUQJBOMRUNWQE-GFCCVEGCSA-N
XLogP1.69
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 100743878
(2S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 100752575
(2S)-N-[(1S,2R)-2-(2-hydroxyethyl)cyclopentyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124738342
(2R)-N-[(2R)-hept-6-en-2-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124627295
(2S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 124873671
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide
CID 136540841
(5-chloro-2-hydroxyphenyl)-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 154755989
[2-(4-fluoroanilino)phenyl]-[2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]methanone
CID 126799769
1-[(2R)-2-(4-tert-butyl-1,3-thiazol-2-yl)morpholin-4-yl]-2-cyclopropylethanone
CID 124737612
N-(3-methyl-1,2-oxazol-5-yl)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 95135990
N-(furan-2-ylmethyl)-2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]acetamide
CID 95137604
2-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)morpholin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 95137831

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The IUPAC name of (2R)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide (CID 100745557) is (2R)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2R)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The canonical SMILES for (2R)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is Cc1csc([C@H]2CN(C(=O)NCCC3(C)OCCO3)CCO2)n1.
What is the InChIKey of (2R)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
The InChIKey is VJUQJBOMRUNWQE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-11-10-23-13(17-11)12-9-18(5-6-20-12)14(19)16-4-3-15(2)21-7-8-22-15/h10,12H,3-9H2,1-2H3,(H,16,19)/t12-/m1/s1.
What are the key properties of (2R)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide?
(2R)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine-4-carboxamide is sourced from PubChem (CID 100745557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).