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

C13H21N3O2S — CID 95845936

IUPAC(2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
SMILESCc1nc(CN2CCO[C@@](C)(C(=O)N(C)C)C2)cs1
InChIInChI=1S/C13H21N3O2S/c1-10-14-11(8-19-10)7-16-5-6-18-13(2,9-16)12(17)15(3)4/h8H,5-7,9H2,1-4H3/t13-/m1/s1
InChIKeyCRVUVSROORLUNQ-CYBMUJFWSA-N
MW283.40 g/mol
LogP1.13
Rot. Bonds3

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

(2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide (PubChem CID 95845936) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is (2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
PubChem CID95845936
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name(2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide
SMILESCc1nc(CN2CCO[C@@](C)(C(=O)N(C)C)C2)cs1
InChIInChI=1S/C13H21N3O2S/c1-10-14-11(8-19-10)7-16-5-6-18-13(2,9-16)12(17)15(3)4/h8H,5-7,9H2,1-4H3/t13-/m1/s1
InChIKeyCRVUVSROORLUNQ-CYBMUJFWSA-N
XLogP1.13
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-methyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholin-2-yl]-morpholin-4-ylmethanone
CID 110271141
(2S)-N,N,2-trimethyl-4-[(2-methylpyrimidin-4-yl)methyl]morpholine-2-carboxamide
CID 95839658
(2R)-N,N,2-trimethyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 124946658
N,N,2-trimethyl-4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 110268368
(2-methyl-1,3-thiazol-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 131688995
(6R)-N,N-dimethyl-11-[(2-methyl-1,3-thiazol-4-yl)methyl]-8-oxa-2,11-diazaspiro[5.6]dodecane-2-carboxamide
CID 97494944
(2R)-4-[[2-(diethylamino)-1,3-thiazol-5-yl]methyl]-N,N,2-trimethylmorpholine-2-carboxamide
CID 92632641
N,N,2-trimethyl-4-(quinolin-8-ylmethyl)morpholine-2-carboxamide
CID 127247739
[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
CID 131689189
(2R)-N,N,2-trimethyl-4-[(4-methylsulfonylphenyl)methyl]morpholine-2-carboxamide
CID 124948384
(5S)-N,N-dimethyl-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97482586
1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708198

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide (CID 95845936) is (2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide is Cc1nc(CN2CCO[C@@](C)(C(=O)N(C)C)C2)cs1.
What is the InChIKey of (2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide?
The InChIKey is CRVUVSROORLUNQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-10-14-11(8-19-10)7-16-5-6-18-13(2,9-16)12(17)15(3)4/h8H,5-7,9H2,1-4H3/t13-/m1/s1.
What are the key properties of (2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide?
(2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide has a molecular weight of 283.40 g/mol, XLogP of 1.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N,2-trimethyl-4-[(2-methyl-1,3-thiazol-4-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 95845936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).