2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid

C5H5N3O4S — CID 175331559

IUPAC2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(NO)Nc1nc(C(=O)O)cs1
InChIInChI=1S/C5H5N3O4S/c9-3(10)2-1-13-5(6-2)7-4(11)8-12/h1,12H,(H,9,10)(H2,6,7,8,11)
InChIKeyWBJUXJNZKLBUDR-UHFFFAOYSA-N
MW203.18 g/mol
LogP0.35
Rot. Bonds2

About 2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid

2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid (PubChem CID 175331559) has the molecular formula C5H5N3O4S and a molecular weight of 203.18 g/mol. Its IUPAC name is 2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid
PubChem CID175331559
Molecular FormulaC5H5N3O4S
Molecular Weight203.18 g/mol
Exact Mass203.00
IUPAC Name2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid
SMILESO=C(NO)Nc1nc(C(=O)O)cs1
InChIInChI=1S/C5H5N3O4S/c9-3(10)2-1-13-5(6-2)7-4(11)8-12/h1,12H,(H,9,10)(H2,6,7,8,11)
InChIKeyWBJUXJNZKLBUDR-UHFFFAOYSA-N
XLogP0.35
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid
CID 86670247
2-hydrazinyl-1,3-thiazole-4-carboxylic acid
CID 15074804
2-(cyclohexylcarbamoylamino)-1,3-thiazole-4-carboxylic acid
CID 28858154
2-(3-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 86670251
2-[(2,3,4-trifluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 28858330
2-[(3,4-difluorobenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 28858327
2-[(2,4,5-trimethoxybenzoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 19611008
2-[(N'-benzylcarbamimidoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 11173441
2-[(N'-butylcarbamimidoyl)amino]-1,3-thiazole-4-carboxylic acid
CID 139707658
2-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]-1,3-thiazole-4-carboxylic acid
CID 28858305
2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568615
2-(5-bromo-2,4-difluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 102855379

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid (CID 175331559) is 2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid is O=C(NO)Nc1nc(C(=O)O)cs1.
What is the InChIKey of 2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid?
The InChIKey is WBJUXJNZKLBUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O4S/c9-3(10)2-1-13-5(6-2)7-4(11)8-12/h1,12H,(H,9,10)(H2,6,7,8,11).
What are the key properties of 2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid?
2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid has a molecular weight of 203.18 g/mol, XLogP of 0.35, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 175331559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).