methyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate

C11H10N2O2S — CID 13073192

IUPACmethyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate
SMILESCOC(=O)c1snc(-c2ccccc2)c1N
InChIInChI=1S/C11H10N2O2S/c1-15-11(14)10-8(12)9(13-16-10)7-5-3-2-4-6-7/h2-6H,12H2,1H3
InChIKeyBCLABDHRUQOVHX-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.18
Rot. Bonds2

About methyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate

methyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate (PubChem CID 13073192) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is methyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate
PubChem CID13073192
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Namemethyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate
SMILESCOC(=O)c1snc(-c2ccccc2)c1N
InChIInChI=1S/C11H10N2O2S/c1-15-11(14)10-8(12)9(13-16-10)7-5-3-2-4-6-7/h2-6H,12H2,1H3
InChIKeyBCLABDHRUQOVHX-UHFFFAOYSA-N
XLogP2.18
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate?
The IUPAC name of methyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate (CID 13073192) is methyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate.
What is the SMILES notation for methyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate?
The canonical SMILES for methyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate is COC(=O)c1snc(-c2ccccc2)c1N.
What is the InChIKey of methyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate?
The InChIKey is BCLABDHRUQOVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-15-11(14)10-8(12)9(13-16-10)7-5-3-2-4-6-7/h2-6H,12H2,1H3.
What are the key properties of methyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate?
methyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate has a molecular weight of 234.28 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-phenyl-1,2-thiazole-5-carboxylate is sourced from PubChem (CID 13073192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).