2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid

C7H11N3O2S — CID 83023966

IUPAC2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
SMILESCN(C)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C7H11N3O2S/c1-10(2)9-7-8-5(4-13-7)3-6(11)12/h4H,3H2,1-2H3,(H,8,9)(H,11,12)
InChIKeyPIDNVDDHIJALMX-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.66
Rot. Bonds4

About 2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid

2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 83023966) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID83023966
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
SMILESCN(C)Nc1nc(CC(=O)O)cs1
InChIInChI=1S/C7H11N3O2S/c1-10(2)9-7-8-5(4-13-7)3-6(11)12/h4H,3H2,1-2H3,(H,8,9)(H,11,12)
InChIKeyPIDNVDDHIJALMX-UHFFFAOYSA-N
XLogP0.66
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.66
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-(2-formamido-1,3-thiazol-4-yl)acetic acid
CID 11286886
2-[2-(3-ethylpentan-3-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 80576122
2-[2-(methylsulfamoylamino)-1,3-thiazol-4-yl]acetic acid
CID 114805146
2-(2-formamido-1,3-thiazol-4-yl)acetic acid;hydrochloride
CID 87949636
2-[2-[[1-(dimethylamino)cyclobutyl]methylamino]-1,3-thiazol-4-yl]acetic acid
CID 105420721
2-[4-(methoxymethyl)-1,3-thiazol-2-yl]-1,1-dimethylhydrazine
CID 131059203
2-[2-[[(Z)-2-methylbut-2-enoyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 115909600
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
CID 124512662
2-[2-(propylsulfonylamino)-1,3-thiazol-4-yl]acetic acid
CID 16777075
2-[2-(pentylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575582
2-[2-(3,3-dimethylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16785815
2-[2-(2-methylbutanoylamino)-1,3-thiazol-4-yl]acetic acid
CID 16791992

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid (CID 83023966) is 2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid is CN(C)Nc1nc(CC(=O)O)cs1.
What is the InChIKey of 2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is PIDNVDDHIJALMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c1-10(2)9-7-8-5(4-13-7)3-6(11)12/h4H,3H2,1-2H3,(H,8,9)(H,11,12).
What are the key properties of 2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid?
2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 201.25 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 83023966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).