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

C11H16N2O2S — CID 79375895

IUPACethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCC1CC1
InChIInChI=1S/C11H16N2O2S/c1-3-15-11(14)9-7(2)13-16-10(9)12-6-8-4-5-8/h8,12H,3-6H2,1-2H3
InChIKeyGVTXLMHRQCCNLK-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.45
Rot. Bonds5

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

ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate (PubChem CID 79375895) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate
PubChem CID79375895
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Nameethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nsc1NCC1CC1
InChIInChI=1S/C11H16N2O2S/c1-3-15-11(14)9-7(2)13-16-10(9)12-6-8-4-5-8/h8,12H,3-6H2,1-2H3
InChIKeyGVTXLMHRQCCNLK-UHFFFAOYSA-N
XLogP2.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate (CID 79375895) is ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(C)nsc1NCC1CC1.
What is the InChIKey of ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate?
The InChIKey is GVTXLMHRQCCNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-3-15-11(14)9-7(2)13-16-10(9)12-6-8-4-5-8/h8,12H,3-6H2,1-2H3.
What are the key properties of ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate?
ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate has a molecular weight of 240.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(cyclopropylmethylamino)-3-methyl-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 79375895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).