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

C12H10INO3S — CID 82995712

IUPAC5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
SMILESCc1ncc(COc2ccc(I)cc2C(=O)O)s1
InChIInChI=1S/C12H10INO3S/c1-7-14-5-9(18-7)6-17-11-3-2-8(13)4-10(11)12(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyGGHCXCJGKQQYFZ-UHFFFAOYSA-N
MW375.19 g/mol
LogP3.33
Rot. Bonds4

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

5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid (PubChem CID 82995712) has the molecular formula C12H10INO3S and a molecular weight of 375.19 g/mol. Its IUPAC name is 5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
PubChem CID82995712
Molecular FormulaC12H10INO3S
Molecular Weight375.19 g/mol
Exact Mass374.94
IUPAC Name5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
SMILESCc1ncc(COc2ccc(I)cc2C(=O)O)s1
InChIInChI=1S/C12H10INO3S/c1-7-14-5-9(18-7)6-17-11-3-2-8(13)4-10(11)12(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyGGHCXCJGKQQYFZ-UHFFFAOYSA-N
XLogP3.33
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.19
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methyl-1,3-thiazol-5-yl)methoxy]-5-nitrobenzoic acid
CID 63020472
3-methoxy-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019580
1-[4-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanone
CID 55151683
2-[(4-hydroxyphenyl)methoxy]-5-iodobenzoic acid
CID 82994875
5-iodo-2-propoxybenzoic acid
CID 10804556
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methoxy]-5-iodobenzoic acid
CID 82991397
3-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid
CID 63019403
5-iodo-2-pentoxybenzoic acid
CID 82996012
2-[(2-ethyl-1,2,4-triazol-3-yl)methoxy]-5-iodobenzoic acid
CID 82995560
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methoxy]-5-iodobenzoic acid
CID 82991140
5-iodo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid
CID 112587928
5-iodo-2-(2-methylbutoxy)benzoic acid
CID 82995336

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid?
The IUPAC name of 5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid (CID 82995712) is 5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid.
What is the SMILES notation for 5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid?
The canonical SMILES for 5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid is Cc1ncc(COc2ccc(I)cc2C(=O)O)s1.
What is the InChIKey of 5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid?
The InChIKey is GGHCXCJGKQQYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10INO3S/c1-7-14-5-9(18-7)6-17-11-3-2-8(13)4-10(11)12(15)16/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid?
5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid has a molecular weight of 375.19 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]benzoic acid is sourced from PubChem (CID 82995712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).