N-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide

C6H7N3O3S — CID 112550667

IUPACN-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide
SMILESNC(=O)CONC(=O)c1cscn1
InChIInChI=1S/C6H7N3O3S/c7-5(10)1-12-9-6(11)4-2-13-3-8-4/h2-3H,1H2,(H2,7,10)(H,9,11)
InChIKeyXYBUFFIJTKWZOG-UHFFFAOYSA-N
MW201.21 g/mol
LogP-0.71
Rot. Bonds4

About N-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide

N-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide (PubChem CID 112550667) has the molecular formula C6H7N3O3S and a molecular weight of 201.21 g/mol. Its IUPAC name is N-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide
PubChem CID112550667
Molecular FormulaC6H7N3O3S
Molecular Weight201.21 g/mol
Exact Mass201.02
IUPAC NameN-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide
SMILESNC(=O)CONC(=O)c1cscn1
InChIInChI=1S/C6H7N3O3S/c7-5(10)1-12-9-6(11)4-2-13-3-8-4/h2-3H,1H2,(H2,7,10)(H,9,11)
InChIKeyXYBUFFIJTKWZOG-UHFFFAOYSA-N
XLogP-0.71
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-thiazole-4-carbonylamino)oxyacetic acid
CID 63913381
N-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide
CID 81343248
N-[4-(2-amino-2-oxoethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 62045992
1,3-thiazole-4-carbohydrazide;hydrochloride
CID 146013643
2-(1,3-thiazole-4-carbonylamino)ethyl carbamate
CID 83205186
N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 58337725
N-(2H-tetrazol-5-yl)-1,3-thiazole-4-carboxamide
CID 84554106
N-(2-amino-2-oxoethoxy)quinoline-2-carboxamide
CID 112550703
N-cyclopentyloxy-1,3-thiazole-4-carboxamide
CID 83202530
N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 175705206
N-(2-amino-2-oxoethoxy)-1,3-thiazole-5-carboxamide
CID 103901233
N-[(4-carbamothioylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63022697

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide (CID 112550667) is N-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide is NC(=O)CONC(=O)c1cscn1.
What is the InChIKey of N-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide?
The InChIKey is XYBUFFIJTKWZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O3S/c7-5(10)1-12-9-6(11)4-2-13-3-8-4/h2-3H,1H2,(H2,7,10)(H,9,11).
What are the key properties of N-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide?
N-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide has a molecular weight of 201.21 g/mol, XLogP of -0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethoxy)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 112550667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).