methyl 3-methyl-5-[[(2S,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]amino]-1,2-thiazole-4-carboxylate

C18H21N3O4S — CID 97002102

IUPACmethyl 3-methyl-5-[[(2S,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(C)nsc1NC(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1
InChIInChI=1S/C18H21N3O4S/c1-11-9-21(10-14(25-11)13-7-5-4-6-8-13)18(23)19-16-15(17(22)24-3)12(2)20-26-16/h4-8,11,14H,9-10H2,1-3H3,(H,19,23)/t11-,14-/m0/s1
InChIKeyWTPWVXZDKSLQQN-FZMZJTMJSA-N
MW375.45 g/mol
LogP3.23
Rot. Bonds3

About methyl 3-methyl-5-[[(2S,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]amino]-1,2-thiazole-4-carboxylate

methyl 3-methyl-5-[[(2S,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]amino]-1,2-thiazole-4-carboxylate (PubChem CID 97002102) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is methyl 3-methyl-5-[[(2S,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]amino]-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-5-[[(2S,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]amino]-1,2-thiazole-4-carboxylate
PubChem CID97002102
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Namemethyl 3-methyl-5-[[(2S,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]amino]-1,2-thiazole-4-carboxylate
SMILESCOC(=O)c1c(C)nsc1NC(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1
InChIInChI=1S/C18H21N3O4S/c1-11-9-21(10-14(25-11)13-7-5-4-6-8-13)18(23)19-16-15(17(22)24-3)12(2)20-26-16/h4-8,11,14H,9-10H2,1-3H3,(H,19,23)/t11-,14-/m0/s1
InChIKeyWTPWVXZDKSLQQN-FZMZJTMJSA-N
XLogP3.23
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-methyl-5-[[(2S,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]amino]-1,2-thiazole-4-carboxylate with MolForge

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Related Compounds

methyl 3-methyl-5-[[(3R)-3-methylpyrrolidine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate
CID 95145098
methyl 3-methyl-5-[[(2S)-3-oxo-2-phenylpiperazine-1-carbonyl]amino]-1,2-thiazole-4-carboxylate
CID 52504682
(2R,6R)-2-methyl-6-phenyl-N-phenylmethoxymorpholine-4-carboxamide
CID 95220454
(2R,6S)-N-[(4-ethyl-2-pyridinyl)methyl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 124885588
(2R,6S)-2-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-6-phenylmorpholine-4-carboxamide
CID 95194564
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
(2S,6S)-N-[5-(dimethylcarbamoyl)-2-methylphenyl]-2-methyl-6-phenylmorpholine-4-carboxamide
CID 95193687
methyl 5-[[(2R)-2-(3-fluorophenyl)pyrrolidine-1-carbonyl]amino]-3-methyl-1,2-thiazole-4-carboxylate
CID 94647532
2-(2-methoxyethylamino)-1-(2-methyl-6-phenylmorpholin-4-yl)ethanone;hydrochloride
CID 119751382
(2S,6S)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 41097584
(2S,6R)-2,6-dimethyl-N-phenylmorpholine-4-carboxamide
CID 42545481
1-[(2R,6R)-2-methyl-6-phenylmorpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 95583762

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-5-[[(2S,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]amino]-1,2-thiazole-4-carboxylate?
The IUPAC name of methyl 3-methyl-5-[[(2S,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]amino]-1,2-thiazole-4-carboxylate (CID 97002102) is methyl 3-methyl-5-[[(2S,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]amino]-1,2-thiazole-4-carboxylate.
What is the SMILES notation for methyl 3-methyl-5-[[(2S,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]amino]-1,2-thiazole-4-carboxylate?
The canonical SMILES for methyl 3-methyl-5-[[(2S,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]amino]-1,2-thiazole-4-carboxylate is COC(=O)c1c(C)nsc1NC(=O)N1C[C@@H](c2ccccc2)O[C@@H](C)C1.
What is the InChIKey of methyl 3-methyl-5-[[(2S,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]amino]-1,2-thiazole-4-carboxylate?
The InChIKey is WTPWVXZDKSLQQN-FZMZJTMJSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-11-9-21(10-14(25-11)13-7-5-4-6-8-13)18(23)19-16-15(17(22)24-3)12(2)20-26-16/h4-8,11,14H,9-10H2,1-3H3,(H,19,23)/t11-,14-/m0/s1.
What are the key properties of methyl 3-methyl-5-[[(2S,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]amino]-1,2-thiazole-4-carboxylate?
methyl 3-methyl-5-[[(2S,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]amino]-1,2-thiazole-4-carboxylate has a molecular weight of 375.45 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-5-[[(2S,6R)-2-methyl-6-phenylmorpholine-4-carbonyl]amino]-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 97002102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).