methyl 2-anilino-1,3-thiazole-5-carboxylate

C11H10N2O2S — CID 11622776

IUPACmethyl 2-anilino-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccccc2)s1
InChIInChI=1S/C11H10N2O2S/c1-15-10(14)9-7-12-11(16-9)13-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)
InChIKeyDWTBCNWPZJVLAP-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.67
Rot. Bonds3

About methyl 2-anilino-1,3-thiazole-5-carboxylate

methyl 2-anilino-1,3-thiazole-5-carboxylate (PubChem CID 11622776) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is methyl 2-anilino-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-anilino-1,3-thiazole-5-carboxylate
PubChem CID11622776
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Namemethyl 2-anilino-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccccc2)s1
InChIInChI=1S/C11H10N2O2S/c1-15-10(14)9-7-12-11(16-9)13-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13)
InChIKeyDWTBCNWPZJVLAP-UHFFFAOYSA-N
XLogP2.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-anilino-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-anilino-1,3-thiazole-5-carboxylate (CID 11622776) is methyl 2-anilino-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-anilino-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-anilino-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(Nc2ccccc2)s1.
What is the InChIKey of methyl 2-anilino-1,3-thiazole-5-carboxylate?
The InChIKey is DWTBCNWPZJVLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-15-10(14)9-7-12-11(16-9)13-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,13).
What are the key properties of methyl 2-anilino-1,3-thiazole-5-carboxylate?
methyl 2-anilino-1,3-thiazole-5-carboxylate has a molecular weight of 234.28 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-anilino-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 11622776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).