ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

C8H12N2O2S — CID 45089557

IUPACethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC
InChIInChI=1S/C8H12N2O2S/c1-4-12-8(11)6-5(2)10-13-7(6)9-3/h9H,4H2,1-3H3
InChIKeyBJWBKTJNPCNWQV-UHFFFAOYSA-N
MW200.26 g/mol
LogP1.67
Rot. Bonds3

About ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate

ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate (PubChem CID 45089557) has the molecular formula C8H12N2O2S and a molecular weight of 200.26 g/mol. Its IUPAC name is ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
PubChem CID45089557
Molecular FormulaC8H12N2O2S
Molecular Weight200.26 g/mol
Exact Mass200.06
IUPAC Nameethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NC
InChIInChI=1S/C8H12N2O2S/c1-4-12-8(11)6-5(2)10-13-7(6)9-3/h9H,4H2,1-3H3
InChIKeyBJWBKTJNPCNWQV-UHFFFAOYSA-N
XLogP1.67
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate (CID 45089557) is ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NC.
What is the InChIKey of ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
The InChIKey is BJWBKTJNPCNWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2S/c1-4-12-8(11)6-5(2)10-13-7(6)9-3/h9H,4H2,1-3H3.
What are the key properties of ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate?
ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate has a molecular weight of 200.26 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 45089557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).