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

C7H12N4O2S — CID 104528096

IUPAC2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
SMILESCN(C)Nc1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C7H12N4O2S/c1-11(2)10-7-9-4(3-14-7)5(8)6(12)13/h3,5H,8H2,1-2H3,(H,9,10)(H,12,13)
InChIKeyLITLNYXKPBIVGB-UHFFFAOYSA-N
MW216.27 g/mol
LogP0.12
Rot. Bonds4

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

2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid (PubChem CID 104528096) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
PubChem CID104528096
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
SMILESCN(C)Nc1nc(C(N)C(=O)O)cs1
InChIInChI=1S/C7H12N4O2S/c1-11(2)10-7-9-4(3-14-7)5(8)6(12)13/h3,5H,8H2,1-2H3,(H,9,10)(H,12,13)
InChIKeyLITLNYXKPBIVGB-UHFFFAOYSA-N
XLogP0.12
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-[2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-1,3-thiazol-4-yl]acetic acid
CID 104527769
2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527323
2-amino-2-[2-[4-(dimethylamino)butylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527655
2-amino-2-[2-(butan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527337
2-amino-2-[2-(3,3-dimethylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104830469
2-amino-2-[2-(2,2-dimethylbutylamino)-1,3-thiazol-4-yl]acetic acid
CID 103466449
2-amino-2-[2-(pentan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527355
2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid
CID 104527370
2-amino-2-[2-[[2-(tert-butylamino)-2-oxoethyl]amino]-1,3-thiazol-4-yl]acetic acid
CID 104528076
2-amino-2-[2-[(4-methylphenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527434
2-amino-2-[2-(2,6-dibromoanilino)-1,3-thiazol-4-yl]acetic acid
CID 107604300
2-amino-2-[2-(3-ethoxypropylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527437

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid (CID 104528096) is 2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid is CN(C)Nc1nc(C(N)C(=O)O)cs1.
What is the InChIKey of 2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is LITLNYXKPBIVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-11(2)10-7-9-4(3-14-7)5(8)6(12)13/h3,5H,8H2,1-2H3,(H,9,10)(H,12,13).
What are the key properties of 2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 216.27 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 104528096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).