4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylmorpholine-3-carboxamide

C11H16N4O3S — CID 83097443

IUPAC4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1sc(N)nc1C
InChIInChI=1S/C11H16N4O3S/c1-6-8(19-11(12)14-6)10(17)15-3-4-18-5-7(15)9(16)13-2/h7H,3-5H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyJFZXHVIIZZMBDG-UHFFFAOYSA-N
MW284.34 g/mol
LogP-0.38
Rot. Bonds2

About 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylmorpholine-3-carboxamide

4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylmorpholine-3-carboxamide (PubChem CID 83097443) has the molecular formula C11H16N4O3S and a molecular weight of 284.34 g/mol. Its IUPAC name is 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylmorpholine-3-carboxamide
PubChem CID83097443
Molecular FormulaC11H16N4O3S
Molecular Weight284.34 g/mol
Exact Mass284.09
IUPAC Name4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylmorpholine-3-carboxamide
SMILESCNC(=O)C1COCCN1C(=O)c1sc(N)nc1C
InChIInChI=1S/C11H16N4O3S/c1-6-8(19-11(12)14-6)10(17)15-3-4-18-5-7(15)9(16)13-2/h7H,3-5H2,1-2H3,(H2,12,14)(H,13,16)
InChIKeyJFZXHVIIZZMBDG-UHFFFAOYSA-N
XLogP-0.38
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-amino-4-methyl-1,3-thiazol-5-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94600145
4-(4-amino-3-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107171
4-(4-amino-2-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83107032
1-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylpiperidine-4-carboxamide
CID 62793582
4-(2-amino-6-methylbenzoyl)-N-methylmorpholine-3-carboxamide
CID 83106473
4-(4,5-dibromothiophene-2-carbonyl)-N-methylmorpholine-3-carboxamide
CID 83099962
4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 119215888
(3R)-4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)morpholine-3-carboxylic acid
CID 125150119
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428
N-methyl-4-(1,3-thiazole-4-carbonyl)morpholine-3-carboxamide
CID 83100296
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 99974262
(3S)-4-[2-(2,4-dimethylphenyl)-4-methyl-1,3-thiazole-5-carbonyl]morpholine-3-carboxylic acid
CID 125150261

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylmorpholine-3-carboxamide?
The IUPAC name of 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylmorpholine-3-carboxamide (CID 83097443) is 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylmorpholine-3-carboxamide.
What is the SMILES notation for 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylmorpholine-3-carboxamide?
The canonical SMILES for 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylmorpholine-3-carboxamide is CNC(=O)C1COCCN1C(=O)c1sc(N)nc1C.
What is the InChIKey of 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylmorpholine-3-carboxamide?
The InChIKey is JFZXHVIIZZMBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3S/c1-6-8(19-11(12)14-6)10(17)15-3-4-18-5-7(15)9(16)13-2/h7H,3-5H2,1-2H3,(H2,12,14)(H,13,16).
What are the key properties of 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylmorpholine-3-carboxamide?
4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylmorpholine-3-carboxamide has a molecular weight of 284.34 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-methyl-1,3-thiazole-5-carbonyl)-N-methylmorpholine-3-carboxamide is sourced from PubChem (CID 83097443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).