2-carboxy-5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenolate

C14H9N2O3S2- — CID 54702756

IUPAC2-carboxy-5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenolate
SMILESO=C(O)c1ccc(Nc2nc(-c3cccs3)cs2)cc1[O-]
InChIInChI=1S/C14H10N2O3S2/c17-11-6-8(3-4-9(11)13(18)19)15-14-16-10(7-21-14)12-2-1-5-20-12/h1-7,17H,(H,15,16)(H,18,19)/p-1
InChIKeyXELJZBKGWKBZBK-UHFFFAOYSA-M
MW317.37 g/mol
LogP3.39
Rot. Bonds4

About 2-carboxy-5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenolate

2-carboxy-5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenolate (PubChem CID 54702756) has the molecular formula C14H9N2O3S2- and a molecular weight of 317.37 g/mol. Its IUPAC name is 2-carboxy-5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenolate.

Molecular Properties

Compound Name2-carboxy-5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenolate
PubChem CID54702756
Molecular FormulaC14H9N2O3S2-
Molecular Weight317.37 g/mol
Exact Mass317.01
IUPAC Name2-carboxy-5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenolate
SMILESO=C(O)c1ccc(Nc2nc(-c3cccs3)cs2)cc1[O-]
InChIInChI=1S/C14H10N2O3S2/c17-11-6-8(3-4-9(11)13(18)19)15-14-16-10(7-21-14)12-2-1-5-20-12/h1-7,17H,(H,15,16)(H,18,19)/p-1
InChIKeyXELJZBKGWKBZBK-UHFFFAOYSA-M
XLogP3.39
TPSA85.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-carboxy-5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenolate?
The IUPAC name of 2-carboxy-5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenolate (CID 54702756) is 2-carboxy-5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenolate.
What is the SMILES notation for 2-carboxy-5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenolate?
The canonical SMILES for 2-carboxy-5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenolate is O=C(O)c1ccc(Nc2nc(-c3cccs3)cs2)cc1[O-].
What is the InChIKey of 2-carboxy-5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenolate?
The InChIKey is XELJZBKGWKBZBK-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10N2O3S2/c17-11-6-8(3-4-9(11)13(18)19)15-14-16-10(7-21-14)12-2-1-5-20-12/h1-7,17H,(H,15,16)(H,18,19)/p-1.
What are the key properties of 2-carboxy-5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenolate?
2-carboxy-5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenolate has a molecular weight of 317.37 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxy-5-[(4-thiophen-2-yl-1,3-thiazol-2-yl)amino]phenolate is sourced from PubChem (CID 54702756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).