2,2,6,6-tetramethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide

C14H23N3O2S — CID 86805387

IUPAC2,2,6,6-tetramethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide
SMILESCc1ncsc1CNC(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C14H23N3O2S/c1-10-11(20-9-16-10)6-15-12(18)17-7-13(2,3)19-14(4,5)8-17/h9H,6-8H2,1-5H3,(H,15,18)
InChIKeyATDLVYQVRJFRDA-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.55
Rot. Bonds2

About 2,2,6,6-tetramethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide

2,2,6,6-tetramethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide (PubChem CID 86805387) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide
PubChem CID86805387
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2,2,6,6-tetramethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide
SMILESCc1ncsc1CNC(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C14H23N3O2S/c1-10-11(20-9-16-10)6-15-12(18)17-7-13(2,3)19-14(4,5)8-17/h9H,6-8H2,1-5H3,(H,15,18)
InChIKeyATDLVYQVRJFRDA-UHFFFAOYSA-N
XLogP2.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-2-carboxamide
CID 73439585
(3R)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-(morpholin-4-ylmethyl)piperidine-1-carboxamide
CID 95343747
3-[(4-Methyl-1,3-thiazol-5-yl)methyl]-1-(2,2,5,5-tetramethyloxolan-3-yl)urea
CID 75517849
N,N-dimethyl-1-(4-methyl-1,3-thiazol-5-yl)-1-(5-oxa-8-azaspiro[3.5]nonan-8-yl)methanamine
CID 118303040
2-[2-Methylpropyl-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 55171307
2,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide
CID 60254362
Ethyl 4-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]piperidine-1-carboxylate
CID 60254449
1-(3-Ethoxypropyl)-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 60255118
Tert-butyl 4-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate
CID 63280071
4-[(4-Methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxamide
CID 63280777
Tert-butyl 3-[(4-methyl-1,3-thiazol-5-yl)methylamino]piperidine-1-carboxylate
CID 63281152
2-[(4-Methyl-1,3-thiazol-5-yl)methylcarbamoyl-propylamino]acetic acid
CID 63283504

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide?
The IUPAC name of 2,2,6,6-tetramethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide (CID 86805387) is 2,2,6,6-tetramethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide?
The canonical SMILES for 2,2,6,6-tetramethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide is Cc1ncsc1CNC(=O)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 2,2,6,6-tetramethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide?
The InChIKey is ATDLVYQVRJFRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-10-11(20-9-16-10)6-15-12(18)17-7-13(2,3)19-14(4,5)8-17/h9H,6-8H2,1-5H3,(H,15,18).
What are the key properties of 2,2,6,6-tetramethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide?
2,2,6,6-tetramethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboxamide is sourced from PubChem (CID 86805387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).