5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid

C12H10ClNO3S — CID 82105679

IUPAC5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
SMILESCc1ncsc1COc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C12H10ClNO3S/c1-7-11(18-6-14-7)5-17-10-3-2-8(13)4-9(10)12(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyBELHYJBIJHYKBD-UHFFFAOYSA-N
MW283.74 g/mol
LogP3.38
Rot. Bonds4

About 5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid

5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid (PubChem CID 82105679) has the molecular formula C12H10ClNO3S and a molecular weight of 283.74 g/mol. Its IUPAC name is 5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
PubChem CID82105679
Molecular FormulaC12H10ClNO3S
Molecular Weight283.74 g/mol
Exact Mass283.01
IUPAC Name5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
SMILESCc1ncsc1COc1ccc(Cl)cc1C(=O)O
InChIInChI=1S/C12H10ClNO3S/c1-7-11(18-6-14-7)5-17-10-3-2-8(13)4-9(10)12(15)16/h2-4,6H,5H2,1H3,(H,15,16)
InChIKeyBELHYJBIJHYKBD-UHFFFAOYSA-N
XLogP3.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]benzoic acid
CID 43524871
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CID 8707091
5-chloro-2-(2-oxopropoxy)benzoic acid
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4-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methylcarbamoylamino]benzoic acid
CID 63283499
5-chloro-2-ethoxybenzoic acid;tungsten
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5-chloro-2-(2H-tetrazol-5-ylmethoxy)benzoic acid
CID 154268180
2-bromo-4-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113257504
5-chloro-2-iodo-N-[(4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 113231985
5-chloro-2-(4-methoxybutoxy)benzoic acid
CID 104646799
2-[2-(2-acetylhydrazinyl)-2-oxoethoxy]-5-chlorobenzoic acid
CID 60676595
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid
CID 60711590
5-chloro-2-(3,3-dimethylbutoxy)benzoic acid
CID 61379705

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid?
The IUPAC name of 5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid (CID 82105679) is 5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid.
What is the SMILES notation for 5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid?
The canonical SMILES for 5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid is Cc1ncsc1COc1ccc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid?
The InChIKey is BELHYJBIJHYKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3S/c1-7-11(18-6-14-7)5-17-10-3-2-8(13)4-9(10)12(15)16/h2-4,6H,5H2,1H3,(H,15,16).
What are the key properties of 5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid?
5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid has a molecular weight of 283.74 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(4-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid is sourced from PubChem (CID 82105679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).