5-chloro-2-methoxy-4-(1,3-thiazol-2-ylamino)benzoic acid

C11H9ClN2O3S — CID 43614491

IUPAC5-chloro-2-methoxy-4-(1,3-thiazol-2-ylamino)benzoic acid
SMILESCOc1cc(Nc2nccs2)c(Cl)cc1C(=O)O
InChIInChI=1S/C11H9ClN2O3S/c1-17-9-5-8(14-11-13-2-3-18-11)7(12)4-6(9)10(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeySNEFFWYUUWJDGN-UHFFFAOYSA-N
MW284.72 g/mol
LogP3.25
Rot. Bonds4

About 5-chloro-2-methoxy-4-(1,3-thiazol-2-ylamino)benzoic acid

5-chloro-2-methoxy-4-(1,3-thiazol-2-ylamino)benzoic acid (PubChem CID 43614491) has the molecular formula C11H9ClN2O3S and a molecular weight of 284.72 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-(1,3-thiazol-2-ylamino)benzoic acid.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-(1,3-thiazol-2-ylamino)benzoic acid
PubChem CID43614491
Molecular FormulaC11H9ClN2O3S
Molecular Weight284.72 g/mol
Exact Mass284.00
IUPAC Name5-chloro-2-methoxy-4-(1,3-thiazol-2-ylamino)benzoic acid
SMILESCOc1cc(Nc2nccs2)c(Cl)cc1C(=O)O
InChIInChI=1S/C11H9ClN2O3S/c1-17-9-5-8(14-11-13-2-3-18-11)7(12)4-6(9)10(15)16/h2-5H,1H3,(H,13,14)(H,15,16)
InChIKeySNEFFWYUUWJDGN-UHFFFAOYSA-N
XLogP3.25
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-4-[(4,6-dimethylpyrimidin-2-yl)amino]-2-methoxybenzoic acid
CID 43614487
5-chloro-4-(chlorosulfonylamino)-2-methoxybenzoic acid
CID 84760610
5-chloro-4-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methoxybenzoic acid
CID 60922188
5-chloro-4-(ethylsulfonylamino)-2-methoxybenzoic acid
CID 43405044
5-chloro-4-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-2-methoxybenzoic acid
CID 43646818
5-chloro-2-methoxy-4-(propan-2-ylsulfonylamino)benzoic acid
CID 60860077
2-[3-chloro-4-(1,3-thiazol-2-ylamino)phenyl]propanoic acid
CID 12785141
5-chloro-2-methoxy-4-[(2-methoxy-2-methylpropanoyl)amino]benzoic acid
CID 103018243
2-chloro-5-(1,3-thiazol-2-ylsulfamoyl)benzoic acid
CID 28536256
5-chloro-2-methoxy-4-(pyridazine-4-carbonylamino)benzoic acid
CID 104669440
5-chloro-2-methoxy-4-(methylamino)benzoic acid;1H-imidazole
CID 67947256
5-chloro-2-methoxy-4-[[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 21011212

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-(1,3-thiazol-2-ylamino)benzoic acid?
The IUPAC name of 5-chloro-2-methoxy-4-(1,3-thiazol-2-ylamino)benzoic acid (CID 43614491) is 5-chloro-2-methoxy-4-(1,3-thiazol-2-ylamino)benzoic acid.
What is the SMILES notation for 5-chloro-2-methoxy-4-(1,3-thiazol-2-ylamino)benzoic acid?
The canonical SMILES for 5-chloro-2-methoxy-4-(1,3-thiazol-2-ylamino)benzoic acid is COc1cc(Nc2nccs2)c(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-methoxy-4-(1,3-thiazol-2-ylamino)benzoic acid?
The InChIKey is SNEFFWYUUWJDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O3S/c1-17-9-5-8(14-11-13-2-3-18-11)7(12)4-6(9)10(15)16/h2-5H,1H3,(H,13,14)(H,15,16).
What are the key properties of 5-chloro-2-methoxy-4-(1,3-thiazol-2-ylamino)benzoic acid?
5-chloro-2-methoxy-4-(1,3-thiazol-2-ylamino)benzoic acid has a molecular weight of 284.72 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-(1,3-thiazol-2-ylamino)benzoic acid is sourced from PubChem (CID 43614491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).