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

C10H8N2O2S — CID 613179

IUPAC4-(2-amino-1,3-thiazol-4-yl)benzoic acid
SMILESNc1nc(-c2ccc(C(=O)O)cc2)cs1
InChIInChI=1S/C10H8N2O2S/c11-10-12-8(5-15-10)6-1-3-7(4-2-6)9(13)14/h1-5H,(H2,11,12)(H,13,14)
InChIKeyDGZPYJBDYGAEBE-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.09
Rot. Bonds2

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

4-(2-amino-1,3-thiazol-4-yl)benzoic acid (PubChem CID 613179) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 4-(2-amino-1,3-thiazol-4-yl)benzoic acid.

Molecular Properties

Compound Name4-(2-amino-1,3-thiazol-4-yl)benzoic acid
PubChem CID613179
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name4-(2-amino-1,3-thiazol-4-yl)benzoic acid
SMILESNc1nc(-c2ccc(C(=O)O)cc2)cs1
InChIInChI=1S/C10H8N2O2S/c11-10-12-8(5-15-10)6-1-3-7(4-2-6)9(13)14/h1-5H,(H2,11,12)(H,13,14)
InChIKeyDGZPYJBDYGAEBE-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)benzoic acid?
The IUPAC name of 4-(2-amino-1,3-thiazol-4-yl)benzoic acid (CID 613179) is 4-(2-amino-1,3-thiazol-4-yl)benzoic acid.
What is the SMILES notation for 4-(2-amino-1,3-thiazol-4-yl)benzoic acid?
The canonical SMILES for 4-(2-amino-1,3-thiazol-4-yl)benzoic acid is Nc1nc(-c2ccc(C(=O)O)cc2)cs1.
What is the InChIKey of 4-(2-amino-1,3-thiazol-4-yl)benzoic acid?
The InChIKey is DGZPYJBDYGAEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c11-10-12-8(5-15-10)6-1-3-7(4-2-6)9(13)14/h1-5H,(H2,11,12)(H,13,14).
What are the key properties of 4-(2-amino-1,3-thiazol-4-yl)benzoic acid?
4-(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 4-(2-amino-1,3-thiazol-4-yl)benzoic acid is sourced from PubChem (CID 613179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).