2-[2-(methoxymethyl)anilino]-1,3-thiazole-4-carboxylic acid

C12H12N2O3S — CID 80568289

IUPAC2-[2-(methoxymethyl)anilino]-1,3-thiazole-4-carboxylic acid
SMILESCOCc1ccccc1Nc1nc(C(=O)O)cs1
InChIInChI=1S/C12H12N2O3S/c1-17-6-8-4-2-3-5-9(8)13-12-14-10(7-18-12)11(15)16/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyDMCLVFLHRRRWDS-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.73
Rot. Bonds5

About 2-[2-(methoxymethyl)anilino]-1,3-thiazole-4-carboxylic acid

2-[2-(methoxymethyl)anilino]-1,3-thiazole-4-carboxylic acid (PubChem CID 80568289) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 2-[2-(methoxymethyl)anilino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(methoxymethyl)anilino]-1,3-thiazole-4-carboxylic acid
PubChem CID80568289
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name2-[2-(methoxymethyl)anilino]-1,3-thiazole-4-carboxylic acid
SMILESCOCc1ccccc1Nc1nc(C(=O)O)cs1
InChIInChI=1S/C12H12N2O3S/c1-17-6-8-4-2-3-5-9(8)13-12-14-10(7-18-12)11(15)16/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16)
InChIKeyDMCLVFLHRRRWDS-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-(methoxymethyl)anilino]pyrazine-2-carboxylic acid
CID 66451826
methyl 2-(2-fluoroanilino)-1,3-thiazole-4-carboxylate
CID 115423247
methyl 2-(2-methylanilino)-1,3-thiazole-4-carboxylate
CID 115423299
2-(2-ethyl-6-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 79023890
3-[[2-(2-fluoroanilino)-1,3-thiazole-4-carbonyl]-(2-methoxyethyl)amino]propanoic acid
CID 42813689
methyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate
CID 80570947
2-(aminomethyl)-N-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66376075
methyl 2-[2-(dimethylamino)anilino]-1,3-thiazole-4-carboxylate
CID 106760978
(E)-4-[2-(methoxymethyl)anilino]-4-oxobut-2-enoic acid
CID 54868087
2-(methoxycarbonylamino)-1,3-thiazole-4-carboxylic acid
CID 86670247
methyl 2-[2-(2-fluoroanilino)-1,3-thiazol-4-yl]acetate
CID 112724634
2-(2,3,4-trifluoroanilino)-1,3-thiazole-4-carboxylic acid
CID 79023733

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxymethyl)anilino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[2-(methoxymethyl)anilino]-1,3-thiazole-4-carboxylic acid (CID 80568289) is 2-[2-(methoxymethyl)anilino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(methoxymethyl)anilino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(methoxymethyl)anilino]-1,3-thiazole-4-carboxylic acid is COCc1ccccc1Nc1nc(C(=O)O)cs1.
What is the InChIKey of 2-[2-(methoxymethyl)anilino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is DMCLVFLHRRRWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-17-6-8-4-2-3-5-9(8)13-12-14-10(7-18-12)11(15)16/h2-5,7H,6H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[2-(methoxymethyl)anilino]-1,3-thiazole-4-carboxylic acid?
2-[2-(methoxymethyl)anilino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 264.31 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxymethyl)anilino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 80568289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).