methyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate

C13H14N2O3S — CID 80570947

IUPACmethyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate
SMILESCOCc1ccccc1Nc1ncc(C(=O)OC)s1
InChIInChI=1S/C13H14N2O3S/c1-17-8-9-5-3-4-6-10(9)15-13-14-7-11(19-13)12(16)18-2/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyCOARTFINHOOHOW-UHFFFAOYSA-N
MW278.33 g/mol
LogP2.82
Rot. Bonds5

About methyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate

methyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate (PubChem CID 80570947) has the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. Its IUPAC name is methyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate
PubChem CID80570947
Molecular FormulaC13H14N2O3S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC Namemethyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate
SMILESCOCc1ccccc1Nc1ncc(C(=O)OC)s1
InChIInChI=1S/C13H14N2O3S/c1-17-8-9-5-3-4-6-10(9)15-13-14-7-11(19-13)12(16)18-2/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyCOARTFINHOOHOW-UHFFFAOYSA-N
XLogP2.82
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(2-methylsulfanylanilino)-1,3-thiazole-5-carboxylate
CID 107647034
methyl 2-[(2-methyl-3-pyridinyl)amino]-1,3-thiazole-5-carboxylate
CID 80572957
methyl 2-(3-iodo-2-methylanilino)-1,3-thiazole-5-carboxylate
CID 114258140
methyl 2-(quinolin-5-ylamino)-1,3-thiazole-5-carboxylate
CID 80570737
methyl 2-[[2-(2-chlorophenyl)acetyl]amino]-1,3-thiazole-5-carboxylate
CID 18103649
methyl 2-(2,4,5-trifluoroanilino)-1,3-thiazole-5-carboxylate
CID 80571341
methyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 80572347
2-[2-(methoxymethyl)anilino]-1,3-thiazole-4-carboxylic acid
CID 80568289
methyl 2-(2-fluoro-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 80572029
methyl 2-(2-chloro-5-methylanilino)-1,3-thiazole-5-carboxylate
CID 107638510
methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate
CID 80570836
methyl 2-(4-fluoro-2-iodoanilino)-1,3-thiazole-5-carboxylate
CID 80572767

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate (CID 80570947) is methyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate is COCc1ccccc1Nc1ncc(C(=O)OC)s1.
What is the InChIKey of methyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate?
The InChIKey is COARTFINHOOHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S/c1-17-8-9-5-3-4-6-10(9)15-13-14-7-11(19-13)12(16)18-2/h3-7H,8H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate?
methyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate has a molecular weight of 278.33 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(methoxymethyl)anilino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80570947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).