methyl 2-amino-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylate

C8H9N3O2S — CID 134833708

IUPACmethyl 2-amino-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylate
SMILESCOC(=O)c1cc2sc(N)nc2n1C
InChIInChI=1S/C8H9N3O2S/c1-11-4(7(12)13-2)3-5-6(11)10-8(9)14-5/h3H,1-2H3,(H2,9,10)
InChIKeyNMHDRHQIZCZAFX-UHFFFAOYSA-N
MW211.25 g/mol
LogP1.00
Rot. Bonds1

About methyl 2-amino-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylate

methyl 2-amino-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylate (PubChem CID 134833708) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is methyl 2-amino-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylate
PubChem CID134833708
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC Namemethyl 2-amino-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylate
SMILESCOC(=O)c1cc2sc(N)nc2n1C
InChIInChI=1S/C8H9N3O2S/c1-11-4(7(12)13-2)3-5-6(11)10-8(9)14-5/h3H,1-2H3,(H2,9,10)
InChIKeyNMHDRHQIZCZAFX-UHFFFAOYSA-N
XLogP1.00
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The IUPAC name of methyl 2-amino-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylate (CID 134833708) is methyl 2-amino-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-amino-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The canonical SMILES for methyl 2-amino-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylate is COC(=O)c1cc2sc(N)nc2n1C.
What is the InChIKey of methyl 2-amino-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
The InChIKey is NMHDRHQIZCZAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-11-4(7(12)13-2)3-5-6(11)10-8(9)14-5/h3H,1-2H3,(H2,9,10).
What are the key properties of methyl 2-amino-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylate?
methyl 2-amino-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylate has a molecular weight of 211.25 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-methylpyrrolo[2,3-d][1,3]thiazole-5-carboxylate is sourced from PubChem (CID 134833708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).