2-hydrazinyl-1,3-thiazole-4-carboxylic acid

C4H5N3O2S — CID 15074804

IUPAC2-hydrazinyl-1,3-thiazole-4-carboxylic acid
SMILESNNc1nc(C(=O)O)cs1
InChIInChI=1S/C4H5N3O2S/c5-7-4-6-2(1-10-4)3(8)9/h1H,5H2,(H,6,7)(H,8,9)
InChIKeyFZISXJSIHYXYEM-UHFFFAOYSA-N
MW159.17 g/mol
LogP0.13
Rot. Bonds2

About 2-hydrazinyl-1,3-thiazole-4-carboxylic acid

2-hydrazinyl-1,3-thiazole-4-carboxylic acid (PubChem CID 15074804) has the molecular formula C4H5N3O2S and a molecular weight of 159.17 g/mol. Its IUPAC name is 2-hydrazinyl-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-hydrazinyl-1,3-thiazole-4-carboxylic acid
PubChem CID15074804
Molecular FormulaC4H5N3O2S
Molecular Weight159.17 g/mol
Exact Mass159.01
IUPAC Name2-hydrazinyl-1,3-thiazole-4-carboxylic acid
SMILESNNc1nc(C(=O)O)cs1
InChIInChI=1S/C4H5N3O2S/c5-7-4-6-2(1-10-4)3(8)9/h1H,5H2,(H,6,7)(H,8,9)
InChIKeyFZISXJSIHYXYEM-UHFFFAOYSA-N
XLogP0.13
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.17
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 86670251
2-(hydroxycarbamoylamino)-1,3-thiazole-4-carboxylic acid
CID 175331559
2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid
CID 86670247
4-(2-hydrazinyl-1,3-thiazol-4-yl)benzoic acid
CID 7174481
2-[(2-methyl-3-methylsulfanylpropyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568567
2-[(1-methylcyclopentyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568615
2-(4-ethoxycarbonylanilino)-1,3-thiazole-4-carboxylic acid
CID 82030598
2-(4-tert-butylanilino)-1,3-thiazole-4-carboxylic acid
CID 79023863
2-(1-hydroxybutan-2-ylamino)-1,3-thiazole-4-carboxylic acid
CID 84761744
2-(4-methylpent-1-yn-3-ylamino)-1,3-thiazole-4-carboxylic acid
CID 131098912
2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568415
2-[(4-ethylphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 106900901

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-hydrazinyl-1,3-thiazole-4-carboxylic acid (CID 15074804) is 2-hydrazinyl-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-hydrazinyl-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-hydrazinyl-1,3-thiazole-4-carboxylic acid is NNc1nc(C(=O)O)cs1.
What is the InChIKey of 2-hydrazinyl-1,3-thiazole-4-carboxylic acid?
The InChIKey is FZISXJSIHYXYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2S/c5-7-4-6-2(1-10-4)3(8)9/h1H,5H2,(H,6,7)(H,8,9).
What are the key properties of 2-hydrazinyl-1,3-thiazole-4-carboxylic acid?
2-hydrazinyl-1,3-thiazole-4-carboxylic acid has a molecular weight of 159.17 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 15074804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).