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

C11H10BrN3O2S — CID 113422994

IUPAC2-amino-2-[2-(3-bromoanilino)-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C11H10BrN3O2S/c12-6-2-1-3-7(4-6)14-11-15-8(5-18-11)9(13)10(16)17/h1-5,9H,13H2,(H,14,15)(H,16,17)
InChIKeyZLIARJSGXZGWKM-UHFFFAOYSA-N
MW328.19 g/mol
LogP2.73
Rot. Bonds4

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

2-amino-2-[2-(3-bromoanilino)-1,3-thiazol-4-yl]acetic acid (PubChem CID 113422994) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is 2-amino-2-[2-(3-bromoanilino)-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[2-(3-bromoanilino)-1,3-thiazol-4-yl]acetic acid
PubChem CID113422994
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC Name2-amino-2-[2-(3-bromoanilino)-1,3-thiazol-4-yl]acetic acid
SMILESNC(C(=O)O)c1csc(Nc2cccc(Br)c2)n1
InChIInChI=1S/C11H10BrN3O2S/c12-6-2-1-3-7(4-6)14-11-15-8(5-18-11)9(13)10(16)17/h1-5,9H,13H2,(H,14,15)(H,16,17)
InChIKeyZLIARJSGXZGWKM-UHFFFAOYSA-N
XLogP2.73
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 113422990
2-amino-2-[2-(2,6-dibromoanilino)-1,3-thiazol-4-yl]acetic acid
CID 107604300
2-amino-2-[2-(3-bromo-4-chloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 104528017
2-amino-2-[2-(4-bromo-2-chloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 113423016
2-amino-2-[2-(4-tert-butylanilino)-1,3-thiazol-4-yl]acetic acid
CID 104527370
2-amino-2-[2-(2-bromo-4,6-dimethylanilino)-1,3-thiazol-4-yl]acetic acid
CID 104528068
2-amino-2-[2-(2,5-dichloroanilino)-1,3-thiazol-4-yl]acetic acid
CID 104527348
2-amino-2-[2-(4-chloro-2-iodoanilino)-1,3-thiazol-4-yl]acetic acid
CID 107638526
2-amino-2-[2-(3-methylbutan-2-ylamino)-1,3-thiazol-4-yl]acetic acid
CID 104527323
2-amino-2-[2-(2,2-dimethylhydrazinyl)-1,3-thiazol-4-yl]acetic acid
CID 104528096
2-amino-2-[2-[(4-methyl-3-pyridinyl)amino]-1,3-thiazol-4-yl]acetic acid
CID 104527885
2-amino-2-[2-[(5-bromothiophen-2-yl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 104527975

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(3-bromoanilino)-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-amino-2-[2-(3-bromoanilino)-1,3-thiazol-4-yl]acetic acid (CID 113422994) is 2-amino-2-[2-(3-bromoanilino)-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-amino-2-[2-(3-bromoanilino)-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-amino-2-[2-(3-bromoanilino)-1,3-thiazol-4-yl]acetic acid is NC(C(=O)O)c1csc(Nc2cccc(Br)c2)n1.
What is the InChIKey of 2-amino-2-[2-(3-bromoanilino)-1,3-thiazol-4-yl]acetic acid?
The InChIKey is ZLIARJSGXZGWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c12-6-2-1-3-7(4-6)14-11-15-8(5-18-11)9(13)10(16)17/h1-5,9H,13H2,(H,14,15)(H,16,17).
What are the key properties of 2-amino-2-[2-(3-bromoanilino)-1,3-thiazol-4-yl]acetic acid?
2-amino-2-[2-(3-bromoanilino)-1,3-thiazol-4-yl]acetic acid has a molecular weight of 328.19 g/mol, XLogP of 2.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(3-bromoanilino)-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 113422994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).