2-[2-[[(2R)-2-(dimethylcarbamoyl)morpholine-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

C14H20N4O5S — CID 126433926

IUPAC2-[2-[[(2R)-2-(dimethylcarbamoyl)morpholine-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCN(C)C(=O)[C@H]1CN(C(=O)NCCc2nc(C(=O)O)cs2)CCO1
InChIInChI=1S/C14H20N4O5S/c1-17(2)12(19)10-7-18(5-6-23-10)14(22)15-4-3-11-16-9(8-24-11)13(20)21/h8,10H,3-7H2,1-2H3,(H,15,22)(H,20,21)/t10-/m1/s1
InChIKeyLGJYERSQFGSOOH-SNVBAGLBSA-N
MW356.40 g/mol
LogP-0.12
Rot. Bonds5

About 2-[2-[[(2R)-2-(dimethylcarbamoyl)morpholine-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid

2-[2-[[(2R)-2-(dimethylcarbamoyl)morpholine-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 126433926) has the molecular formula C14H20N4O5S and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-[2-[[(2R)-2-(dimethylcarbamoyl)morpholine-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[(2R)-2-(dimethylcarbamoyl)morpholine-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
PubChem CID126433926
Molecular FormulaC14H20N4O5S
Molecular Weight356.40 g/mol
Exact Mass356.12
IUPAC Name2-[2-[[(2R)-2-(dimethylcarbamoyl)morpholine-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
SMILESCN(C)C(=O)[C@H]1CN(C(=O)NCCc2nc(C(=O)O)cs2)CCO1
InChIInChI=1S/C14H20N4O5S/c1-17(2)12(19)10-7-18(5-6-23-10)14(22)15-4-3-11-16-9(8-24-11)13(20)21/h8,10H,3-7H2,1-2H3,(H,15,22)(H,20,21)/t10-/m1/s1
InChIKeyLGJYERSQFGSOOH-SNVBAGLBSA-N
XLogP-0.12
TPSA112.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[2-[[(2R)-2-(dimethylcarbamoyl)morpholine-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid with MolForge

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Related Compounds

2-[2-(morpholine-4-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373497
2-[2-(1,4-oxazepane-4-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66374918
2-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 115560786
2-[2-(3,6-dihydro-2H-pyridine-1-carbonylamino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 114411579
(2R)-2-N,2-N-dimethyl-4-N-(3-phenoxypropyl)morpholine-2,4-dicarboxamide
CID 126452811
2-[2-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 106315688
(2S)-4-N-[(3,4-dichlorophenyl)methyl]-2-N,2-N-dimethylmorpholine-2,4-dicarboxamide
CID 126447521
4-[2-(1,3-thiazol-4-yl)ethylcarbamoyl]morpholine-2-carboxylic acid
CID 63824344
2-[2-[[cyclopropylmethyl(methyl)carbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66373922
(2R)-4-[2-(2-phenylethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
CID 129415652
2-[2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66372953
2-[2-[(3-oxo-1,4-diazepane-1-carbonyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375124

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2R)-2-(dimethylcarbamoyl)morpholine-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-[[(2R)-2-(dimethylcarbamoyl)morpholine-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid (CID 126433926) is 2-[2-[[(2R)-2-(dimethylcarbamoyl)morpholine-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-[[(2R)-2-(dimethylcarbamoyl)morpholine-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-[[(2R)-2-(dimethylcarbamoyl)morpholine-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is CN(C)C(=O)[C@H]1CN(C(=O)NCCc2nc(C(=O)O)cs2)CCO1.
What is the InChIKey of 2-[2-[[(2R)-2-(dimethylcarbamoyl)morpholine-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is LGJYERSQFGSOOH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N4O5S/c1-17(2)12(19)10-7-18(5-6-23-10)14(22)15-4-3-11-16-9(8-24-11)13(20)21/h8,10H,3-7H2,1-2H3,(H,15,22)(H,20,21)/t10-/m1/s1.
What are the key properties of 2-[2-[[(2R)-2-(dimethylcarbamoyl)morpholine-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid?
2-[2-[[(2R)-2-(dimethylcarbamoyl)morpholine-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 356.40 g/mol, XLogP of -0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2R)-2-(dimethylcarbamoyl)morpholine-4-carbonyl]amino]ethyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 126433926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).