(2R,3S)-2-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)morpholine-3-carboxamide

C10H15N3O2S — CID 120937598

IUPAC(2R,3S)-2-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)/N=c1/sccn1C
InChIInChI=1S/C10H15N3O2S/c1-7-8(11-3-5-15-7)9(14)12-10-13(2)4-6-16-10/h4,6-8,11H,3,5H2,1-2H3/b12-10+/t7-,8+/m1/s1
InChIKeySHBKWMHOYJUFGZ-HVBZNLCISA-N
MW241.32 g/mol
LogP-0.11
Rot. Bonds1

About (2R,3S)-2-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)morpholine-3-carboxamide

(2R,3S)-2-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)morpholine-3-carboxamide (PubChem CID 120937598) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)morpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)morpholine-3-carboxamide
PubChem CID120937598
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name(2R,3S)-2-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)morpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)/N=c1/sccn1C
InChIInChI=1S/C10H15N3O2S/c1-7-8(11-3-5-15-7)9(14)12-10-13(2)4-6-16-10/h4,6-8,11H,3,5H2,1-2H3/b12-10+/t7-,8+/m1/s1
InChIKeySHBKWMHOYJUFGZ-HVBZNLCISA-N
XLogP-0.11
TPSA55.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2-methylmorpholin-3-yl)-(2-methyltriazol-4-yl)methanone
CID 130625566
(2R,3S)-2-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]morpholine-3-carboxamide
CID 120942873
2-amino-N-(3-methyl-1,3-thiazol-2-ylidene)-2-(oxan-4-yl)acetamide
CID 120796696
tert-butyl (2R)-2-[(3-methyl-1,3-thiazol-2-ylidene)carbamoyl]pyrrolidine-1-carboxylate
CID 95146585
N,2-dimethylmorpholine-3-carboxamide
CID 131024914
(2R,3S)-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methylmorpholine-3-carboxamide
CID 120917971
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
3-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)but-2-enamide
CID 130668129
(2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 120939222
methyl 2-methylmorpholine-3-carboxylate;hydrochloride
CID 138113042
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)morpholine-3-carboxamide?
The IUPAC name of (2R,3S)-2-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)morpholine-3-carboxamide (CID 120937598) is (2R,3S)-2-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)morpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-2-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)morpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-2-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)morpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)/N=c1/sccn1C.
What is the InChIKey of (2R,3S)-2-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)morpholine-3-carboxamide?
The InChIKey is SHBKWMHOYJUFGZ-HVBZNLCISA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7-8(11-3-5-15-7)9(14)12-10-13(2)4-6-16-10/h4,6-8,11H,3,5H2,1-2H3/b12-10+/t7-,8+/m1/s1.
What are the key properties of (2R,3S)-2-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)morpholine-3-carboxamide?
(2R,3S)-2-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)morpholine-3-carboxamide has a molecular weight of 241.32 g/mol, XLogP of -0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-(3-methyl-1,3-thiazol-2-ylidene)morpholine-3-carboxamide is sourced from PubChem (CID 120937598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).