3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid

C10H13N3O4S — CID 79402107

IUPAC3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)C2CNCCO2)c1C(=O)O
InChIInChI=1S/C10H13N3O4S/c1-5-7(10(15)16)9(18-13-5)12-8(14)6-4-11-2-3-17-6/h6,11H,2-4H2,1H3,(H,12,14)(H,15,16)
InChIKeyMDUHZTMNWCGAKR-UHFFFAOYSA-N
MW271.30 g/mol
LogP0.08
Rot. Bonds3

About 3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid

3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid (PubChem CID 79402107) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is 3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid
PubChem CID79402107
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Name3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(NC(=O)C2CNCCO2)c1C(=O)O
InChIInChI=1S/C10H13N3O4S/c1-5-7(10(15)16)9(18-13-5)12-8(14)6-4-11-2-3-17-6/h6,11H,2-4H2,1H3,(H,12,14)(H,15,16)
InChIKeyMDUHZTMNWCGAKR-UHFFFAOYSA-N
XLogP0.08
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[2-(azetidin-3-yl)acetyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79402488
N-(4-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119670966
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide;dihydrochloride
CID 71298534
(2R)-N-(1,3-thiazol-2-yl)morpholine-2-carboxamide;hydrochloride
CID 130747951
(2R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)morpholine-2-carboxamide
CID 95805150
N-[5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119777279
N-(1-methylpyrazol-3-yl)morpholine-2-carboxamide;hydrochloride
CID 119693556
N-[4-(cyclopropanecarbonylamino)phenyl]morpholine-2-carboxamide;hydrochloride
CID 119700164
N-(4-methoxy-2,3-dimethylphenyl)morpholine-2-carboxamide
CID 115177389
N-(4,5-dimethoxy-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119679112
N-(4-chloro-6-methylpyrimidin-2-yl)morpholine-2-carboxamide
CID 114052865
N-(3-chloro-2-methylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119671790

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid (CID 79402107) is 3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid is Cc1nsc(NC(=O)C2CNCCO2)c1C(=O)O.
What is the InChIKey of 3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid?
The InChIKey is MDUHZTMNWCGAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-5-7(10(15)16)9(18-13-5)12-8(14)6-4-11-2-3-17-6/h6,11H,2-4H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid?
3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid has a molecular weight of 271.30 g/mol, XLogP of 0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(morpholine-2-carbonylamino)-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79402107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).