methyl 5-(methylamino)-1,3-thiazole-4-carboxylate

C6H8N2O2S — CID 12792584

IUPACmethyl 5-(methylamino)-1,3-thiazole-4-carboxylate
SMILESCNc1scnc1C(=O)OC
InChIInChI=1S/C6H8N2O2S/c1-7-5-4(6(9)10-2)8-3-11-5/h3,7H,1-2H3
InChIKeyINQFUFJEKDAJER-UHFFFAOYSA-N
MW172.21 g/mol
LogP0.97
Rot. Bonds2

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

methyl 5-(methylamino)-1,3-thiazole-4-carboxylate (PubChem CID 12792584) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is methyl 5-(methylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(methylamino)-1,3-thiazole-4-carboxylate
PubChem CID12792584
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Namemethyl 5-(methylamino)-1,3-thiazole-4-carboxylate
SMILESCNc1scnc1C(=O)OC
InChIInChI=1S/C6H8N2O2S/c1-7-5-4(6(9)10-2)8-3-11-5/h3,7H,1-2H3
InChIKeyINQFUFJEKDAJER-UHFFFAOYSA-N
XLogP0.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(methylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(methylamino)-1,3-thiazole-4-carboxylate (CID 12792584) is methyl 5-(methylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(methylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(methylamino)-1,3-thiazole-4-carboxylate is CNc1scnc1C(=O)OC.
What is the InChIKey of methyl 5-(methylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is INQFUFJEKDAJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c1-7-5-4(6(9)10-2)8-3-11-5/h3,7H,1-2H3.
What are the key properties of methyl 5-(methylamino)-1,3-thiazole-4-carboxylate?
methyl 5-(methylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 172.21 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(methylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 12792584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).