4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid

C8H11N3O3S — CID 154487330

IUPAC4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESNc1nc(N2CCOCC2)sc1C(=O)O
InChIInChI=1S/C8H11N3O3S/c9-6-5(7(12)13)15-8(10-6)11-1-3-14-4-2-11/h1-4,9H2,(H,12,13)
InChIKeyFNCYXUJQZFDLTF-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.26
Rot. Bonds2

About 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid

4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid (PubChem CID 154487330) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
PubChem CID154487330
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
SMILESNc1nc(N2CCOCC2)sc1C(=O)O
InChIInChI=1S/C8H11N3O3S/c9-6-5(7(12)13)15-8(10-6)11-1-3-14-4-2-11/h1-4,9H2,(H,12,13)
InChIKeyFNCYXUJQZFDLTF-UHFFFAOYSA-N
XLogP0.26
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(2-amino-2-oxoethyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667829
4-amino-N-(1-methylcyclopropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116672709
4-amino-N-(2,2-dimethylpropyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116670811
4-amino-N-butan-2-yl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116667638
(4-amino-2-morpholin-4-yl-1,3-thiazol-5-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114414556
4-amino-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116667349
4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 62764238
4-amino-N-(1-methylcyclopentyl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116670895
4-amino-N-methyl-2-morpholin-4-yl-N-prop-2-ynyl-1,3-thiazole-5-carboxamide
CID 116671879
4-amino-N-(4-hydroxypentan-2-yl)-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116672605
4-amino-N-(2-methoxyethyl)-N-methyl-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116663282
4-amino-N-[(2-methylcyclopropyl)methyl]-2-morpholin-4-yl-1,3-thiazole-5-carboxamide
CID 116673035

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid (CID 154487330) is 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid is Nc1nc(N2CCOCC2)sc1C(=O)O.
What is the InChIKey of 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
The InChIKey is FNCYXUJQZFDLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c9-6-5(7(12)13)15-8(10-6)11-1-3-14-4-2-11/h1-4,9H2,(H,12,13).
What are the key properties of 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid?
4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid has a molecular weight of 229.26 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 154487330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).