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

C10H16N2O2S — CID 7174217

IUPACethyl 4-methyl-2-(propylamino)-1,3-thiazole-5-carboxylate
SMILESCCCNc1nc(C)c(C(=O)OCC)s1
InChIInChI=1S/C10H16N2O2S/c1-4-6-11-10-12-7(3)8(15-10)9(13)14-5-2/h4-6H2,1-3H3,(H,11,12)
InChIKeyIVEWAQJNZOLYPU-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.45
Rot. Bonds5

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

ethyl 4-methyl-2-(propylamino)-1,3-thiazole-5-carboxylate (PubChem CID 7174217) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is ethyl 4-methyl-2-(propylamino)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(propylamino)-1,3-thiazole-5-carboxylate
PubChem CID7174217
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Nameethyl 4-methyl-2-(propylamino)-1,3-thiazole-5-carboxylate
SMILESCCCNc1nc(C)c(C(=O)OCC)s1
InChIInChI=1S/C10H16N2O2S/c1-4-6-11-10-12-7(3)8(15-10)9(13)14-5-2/h4-6H2,1-3H3,(H,11,12)
InChIKeyIVEWAQJNZOLYPU-UHFFFAOYSA-N
XLogP2.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
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 4-methyl-2-(propylamino)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(propylamino)-1,3-thiazole-5-carboxylate (CID 7174217) is ethyl 4-methyl-2-(propylamino)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(propylamino)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(propylamino)-1,3-thiazole-5-carboxylate is CCCNc1nc(C)c(C(=O)OCC)s1.
What is the InChIKey of ethyl 4-methyl-2-(propylamino)-1,3-thiazole-5-carboxylate?
The InChIKey is IVEWAQJNZOLYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-4-6-11-10-12-7(3)8(15-10)9(13)14-5-2/h4-6H2,1-3H3,(H,11,12).
What are the key properties of ethyl 4-methyl-2-(propylamino)-1,3-thiazole-5-carboxylate?
ethyl 4-methyl-2-(propylamino)-1,3-thiazole-5-carboxylate has a molecular weight of 228.32 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 4-methyl-2-(propylamino)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 7174217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).