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

C12H20N2O2S — CID 116527160

IUPACethyl 2-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(N)(CC)CC)sc1C
InChIInChI=1S/C12H20N2O2S/c1-5-12(13,6-2)11-14-9(8(4)17-11)10(15)16-7-3/h5-7,13H2,1-4H3
InChIKeySZZLFOIWQXNQLO-UHFFFAOYSA-N
MW256.37 g/mol
LogP2.60
Rot. Bonds5

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

ethyl 2-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate (PubChem CID 116527160) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is ethyl 2-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
PubChem CID116527160
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Nameethyl 2-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(N)(CC)CC)sc1C
InChIInChI=1S/C12H20N2O2S/c1-5-12(13,6-2)11-14-9(8(4)17-11)10(15)16-7-3/h5-7,13H2,1-4H3
InChIKeySZZLFOIWQXNQLO-UHFFFAOYSA-N
XLogP2.60
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-chloro-5-methyl-1,3-thiazole-4-carboxylate
CID 53302340
ethane;ethyl 2-amino-5-methyl-1,3-thiazole-4-carboxylate
CID 145143337
ethyl 5-methyl-2-(2-piperazin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxylate
CID 116527190
ethyl 5-methyl-2-propyl-1,3-thiazole-4-carboxylate
CID 116526179
ethyl 2-(tert-butylamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 116526343
ethyl 2-(2-aminoethyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527168
ethyl 2-(1-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527156
ethyl 2-(diaminomethylideneamino)-5-methyl-1,3-thiazole-4-carboxylate
CID 23545949
ethyl 5-methyl-2-(5-methylpyrimidin-2-yl)-1,3-thiazole-4-carboxylate
CID 116526280
ethyl 2-[(dimethylamino)methyl]-5-methyl-1,3-thiazole-4-carboxylate;oxalic acid
CID 166597361
ethyl 2-(2-aminobutyl)-5-methyl-1,3-thiazole-4-carboxylate
CID 116527183
ethyl 2-[cyclopropyl(methoxy)methyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 116705209

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate (CID 116527160) is ethyl 2-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C(N)(CC)CC)sc1C.
What is the InChIKey of ethyl 2-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate?
The InChIKey is SZZLFOIWQXNQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-5-12(13,6-2)11-14-9(8(4)17-11)10(15)16-7-3/h5-7,13H2,1-4H3.
What are the key properties of ethyl 2-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate?
ethyl 2-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate has a molecular weight of 256.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-aminopentan-3-yl)-5-methyl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 116527160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).