2-(2-amino-1,3-thiazol-4-yl)benzoic acid

C10H8N2O2S — CID 1409773

IUPAC2-(2-amino-1,3-thiazol-4-yl)benzoic acid
SMILESNc1nc(-c2ccccc2C(=O)O)cs1
InChIInChI=1S/C10H8N2O2S/c11-10-12-8(5-15-10)6-3-1-2-4-7(6)9(13)14/h1-5H,(H2,11,12)(H,13,14)
InChIKeyDPPLJWSTECTTET-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.09
Rot. Bonds2

About 2-(2-amino-1,3-thiazol-4-yl)benzoic acid

2-(2-amino-1,3-thiazol-4-yl)benzoic acid (PubChem CID 1409773) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 2-(2-amino-1,3-thiazol-4-yl)benzoic acid.

Molecular Properties

Compound Name2-(2-amino-1,3-thiazol-4-yl)benzoic acid
PubChem CID1409773
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name2-(2-amino-1,3-thiazol-4-yl)benzoic acid
SMILESNc1nc(-c2ccccc2C(=O)O)cs1
InChIInChI=1S/C10H8N2O2S/c11-10-12-8(5-15-10)6-3-1-2-4-7(6)9(13)14/h1-5H,(H2,11,12)(H,13,14)
InChIKeyDPPLJWSTECTTET-UHFFFAOYSA-N
XLogP2.09
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-aminophenyl)-1,3-thiazol-2-amine
CID 28865398
2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzoic acid
CID 69193587
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]benzoic acid
CID 176901735
2-(2-amino-1,3-thiazol-4-yl)benzenesulfonic acid
CID 22761566
4-(2-ethylphenyl)-1,3-thiazol-2-amine
CID 112562140
[2-(2-amino-1,3-thiazol-4-yl)phenyl]methanol
CID 105459084
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
2-[2-[(4-naphthalen-1-yl-1,3-thiazol-2-yl)carbamoyl]phenyl]benzoic acid
CID 3228346
2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28857676
4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylbenzoic acid
CID 155410143
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)benzoic acid?
The IUPAC name of 2-(2-amino-1,3-thiazol-4-yl)benzoic acid (CID 1409773) is 2-(2-amino-1,3-thiazol-4-yl)benzoic acid.
What is the SMILES notation for 2-(2-amino-1,3-thiazol-4-yl)benzoic acid?
The canonical SMILES for 2-(2-amino-1,3-thiazol-4-yl)benzoic acid is Nc1nc(-c2ccccc2C(=O)O)cs1.
What is the InChIKey of 2-(2-amino-1,3-thiazol-4-yl)benzoic acid?
The InChIKey is DPPLJWSTECTTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c11-10-12-8(5-15-10)6-3-1-2-4-7(6)9(13)14/h1-5H,(H2,11,12)(H,13,14).
What are the key properties of 2-(2-amino-1,3-thiazol-4-yl)benzoic acid?
2-(2-amino-1,3-thiazol-4-yl)benzoic acid has a molecular weight of 220.25 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-thiazol-4-yl)benzoic acid is sourced from PubChem (CID 1409773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).