methyl 2-(ethylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate

C10H16N2O2S — CID 10775724

IUPACmethyl 2-(ethylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCCNc1nc(C(=O)OC)c(C(C)C)s1
InChIInChI=1S/C10H16N2O2S/c1-5-11-10-12-7(9(13)14-4)8(15-10)6(2)3/h6H,5H2,1-4H3,(H,11,12)
InChIKeyIRLPLVUPCYUHKL-UHFFFAOYSA-N
MW228.32 g/mol
LogP2.48
Rot. Bonds4

About methyl 2-(ethylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate

methyl 2-(ethylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate (PubChem CID 10775724) has the molecular formula C10H16N2O2S and a molecular weight of 228.32 g/mol. Its IUPAC name is methyl 2-(ethylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate
PubChem CID10775724
Molecular FormulaC10H16N2O2S
Molecular Weight228.32 g/mol
Exact Mass228.09
IUPAC Namemethyl 2-(ethylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate
SMILESCCNc1nc(C(=O)OC)c(C(C)C)s1
InChIInChI=1S/C10H16N2O2S/c1-5-11-10-12-7(9(13)14-4)8(15-10)6(2)3/h6H,5H2,1-4H3,(H,11,12)
InChIKeyIRLPLVUPCYUHKL-UHFFFAOYSA-N
XLogP2.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(ethylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate (CID 10775724) is methyl 2-(ethylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(ethylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(ethylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate is CCNc1nc(C(=O)OC)c(C(C)C)s1.
What is the InChIKey of methyl 2-(ethylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate?
The InChIKey is IRLPLVUPCYUHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2S/c1-5-11-10-12-7(9(13)14-4)8(15-10)6(2)3/h6H,5H2,1-4H3,(H,11,12).
What are the key properties of methyl 2-(ethylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate?
methyl 2-(ethylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate has a molecular weight of 228.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-5-propan-2-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 10775724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).