methyl 2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate

C9H10N4O2S — CID 80571956

IUPACmethyl 2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccn(C)n2)s1
InChIInChI=1S/C9H10N4O2S/c1-13-4-3-7(12-13)11-9-10-5-6(16-9)8(14)15-2/h3-5H,1-2H3,(H,10,11,12)
InChIKeyDYFQWEKQKJCPLV-UHFFFAOYSA-N
MW238.27 g/mol
LogP1.41
Rot. Bonds3

About methyl 2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate

methyl 2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate (PubChem CID 80571956) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is methyl 2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate
PubChem CID80571956
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Namemethyl 2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate
SMILESCOC(=O)c1cnc(Nc2ccn(C)n2)s1
InChIInChI=1S/C9H10N4O2S/c1-13-4-3-7(12-13)11-9-10-5-6(16-9)8(14)15-2/h3-5H,1-2H3,(H,10,11,12)
InChIKeyDYFQWEKQKJCPLV-UHFFFAOYSA-N
XLogP1.41
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate?
The IUPAC name of methyl 2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate (CID 80571956) is methyl 2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for methyl 2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate?
The canonical SMILES for methyl 2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate is COC(=O)c1cnc(Nc2ccn(C)n2)s1.
What is the InChIKey of methyl 2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate?
The InChIKey is DYFQWEKQKJCPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-13-4-3-7(12-13)11-9-10-5-6(16-9)8(14)15-2/h3-5H,1-2H3,(H,10,11,12).
What are the key properties of methyl 2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate?
methyl 2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate has a molecular weight of 238.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylpyrazol-3-yl)amino]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 80571956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).