4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid

C5H6N2O3S — CID 103282713

IUPAC4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CNO)cs1
InChIInChI=1S/C5H6N2O3S/c8-5(9)4-7-3(1-6-10)2-11-4/h2,6,10H,1H2,(H,8,9)
InChIKeyZZEFMEONROFIMQ-UHFFFAOYSA-N
MW174.18 g/mol
LogP0.32
Rot. Bonds3

About 4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid

4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid (PubChem CID 103282713) has the molecular formula C5H6N2O3S and a molecular weight of 174.18 g/mol. Its IUPAC name is 4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid.

Molecular Properties

Compound Name4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid
PubChem CID103282713
Molecular FormulaC5H6N2O3S
Molecular Weight174.18 g/mol
Exact Mass174.01
IUPAC Name4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid
SMILESO=C(O)c1nc(CNO)cs1
InChIInChI=1S/C5H6N2O3S/c8-5(9)4-7-3(1-6-10)2-11-4/h2,6,10H,1H2,(H,8,9)
InChIKeyZZEFMEONROFIMQ-UHFFFAOYSA-N
XLogP0.32
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.18
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1,3-thiazole-2-carboxylic acid
CID 39235458
4-[[(4-hydroxyphenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103268504
4-[(2,3,4,5,6-pentafluoroanilino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103260899
4-[(piperidin-1-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103261211
4-[[(2-methylpropan-2-yl)oxyamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103261428
4-[[(2-hydroxyphenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103267195
4-[[(2,2,3,3-tetramethylcyclopropyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103256731
4-[[(4-bromophenyl)methylamino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103234962
4-[(3,3,3-trifluoropropylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103250366
4-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 103237562
4-[(2,4,5-trifluoroanilino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103249586
4-[(2-methylsulfinylethylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103266185

Frequently Asked Questions

What is the IUPAC name of 4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid?
The IUPAC name of 4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid (CID 103282713) is 4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid.
What is the SMILES notation for 4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid?
The canonical SMILES for 4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid is O=C(O)c1nc(CNO)cs1.
What is the InChIKey of 4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid?
The InChIKey is ZZEFMEONROFIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3S/c8-5(9)4-7-3(1-6-10)2-11-4/h2,6,10H,1H2,(H,8,9).
What are the key properties of 4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid?
4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid has a molecular weight of 174.18 g/mol, XLogP of 0.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(hydroxyamino)methyl]-1,3-thiazole-2-carboxylic acid is sourced from PubChem (CID 103282713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).