4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid

C12H12N2O3S — CID 63743799

IUPAC4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NCc1nccs1
InChIInChI=1S/C12H12N2O3S/c1-17-10-3-2-8(12(15)16)6-9(10)14-7-11-13-4-5-18-11/h2-6,14H,7H2,1H3,(H,15,16)
InChIKeyPGIZAXVOZZWSKB-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.46
Rot. Bonds5

About 4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid

4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid (PubChem CID 63743799) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid
PubChem CID63743799
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid
SMILESCOc1ccc(C(=O)O)cc1NCc1nccs1
InChIInChI=1S/C12H12N2O3S/c1-17-10-3-2-8(12(15)16)6-9(10)14-7-11-13-4-5-18-11/h2-6,14H,7H2,1H3,(H,15,16)
InChIKeyPGIZAXVOZZWSKB-UHFFFAOYSA-N
XLogP2.46
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-3-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 63656617
3-[(2-ethyl-1,3-thiazol-5-yl)methylamino]-4-methoxybenzoic acid
CID 63742291
3-[(5-bromothiophen-3-yl)methylamino]-4-methoxybenzoic acid
CID 63742453
4-(1,3-thiazol-2-ylmethylamino)benzoic acid
CID 62231543
3-[2-(tert-butylamino)ethylamino]-4-methoxybenzoic acid
CID 107445657
3-[(4-fluorophenyl)methylamino]-4-methoxybenzoic acid
CID 17058964
3-[(5-ethylfuran-2-yl)methylamino]-4-methoxybenzoic acid
CID 63742283
4-methoxy-3-[(6-methoxy-2-pyridinyl)methylamino]benzoic acid
CID 103347714
3-[(3-chloro-4-ethoxy-5-methoxyphenyl)methylamino]-4-methoxybenzoic acid
CID 17059633
4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid
CID 79737424
3-[[2-(2-amino-2-oxoethoxy)-5-bromophenyl]methylamino]-4-methoxybenzoic acid
CID 17058751
3-[(3-aminothiophen-2-yl)methylamino]-4-methoxybenzamide
CID 66386759

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid?
The IUPAC name of 4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid (CID 63743799) is 4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid.
What is the SMILES notation for 4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid?
The canonical SMILES for 4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid is COc1ccc(C(=O)O)cc1NCc1nccs1.
What is the InChIKey of 4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid?
The InChIKey is PGIZAXVOZZWSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-17-10-3-2-8(12(15)16)6-9(10)14-7-11-13-4-5-18-11/h2-6,14H,7H2,1H3,(H,15,16).
What are the key properties of 4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid?
4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid has a molecular weight of 264.31 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(1,3-thiazol-2-ylmethylamino)benzoic acid is sourced from PubChem (CID 63743799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).