methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate

C12H12N2O3S — CID 80570836

IUPACmethyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccc(OC)cc2)s1
InChIInChI=1S/C12H12N2O3S/c1-16-9-5-3-8(4-6-9)14-12-13-7-10(18-12)11(15)17-2/h3-7H,1-2H3,(H,13,14)
InChIKeyXVVRVNYHPSTRRQ-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.68
Rot. Bonds4

About methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate

methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate (PubChem CID 80570836) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate
PubChem CID80570836
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Namemethyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccc(OC)cc2)s1
InChIInChI=1S/C12H12N2O3S/c1-16-9-5-3-8(4-6-9)14-12-13-7-10(18-12)11(15)17-2/h3-7H,1-2H3,(H,13,14)
InChIKeyXVVRVNYHPSTRRQ-UHFFFAOYSA-N
XLogP2.68
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate (CID 80570836) is methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(Nc2ccc(OC)cc2)s1.
What is the InChIKey of methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate?
The InChIKey is XVVRVNYHPSTRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-16-9-5-3-8(4-6-9)14-12-13-7-10(18-12)11(15)17-2/h3-7H,1-2H3,(H,13,14).
What are the key properties of methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate?
methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate has a molecular weight of 264.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methoxyanilino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80570836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).