ethyl 3-amino-5-(2,3-dimethylpiperidin-1-yl)-1,2-thiazole-4-carboxylate

C13H21N3O2S — CID 103379602

IUPACethyl 3-amino-5-(2,3-dimethylpiperidin-1-yl)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N1CCCC(C)C1C
InChIInChI=1S/C13H21N3O2S/c1-4-18-13(17)10-11(14)15-19-12(10)16-7-5-6-8(2)9(16)3/h8-9H,4-7H2,1-3H3,(H2,14,15)
InChIKeyWEIBCZNZKJQCDA-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.53
Rot. Bonds3

About ethyl 3-amino-5-(2,3-dimethylpiperidin-1-yl)-1,2-thiazole-4-carboxylate

ethyl 3-amino-5-(2,3-dimethylpiperidin-1-yl)-1,2-thiazole-4-carboxylate (PubChem CID 103379602) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is ethyl 3-amino-5-(2,3-dimethylpiperidin-1-yl)-1,2-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-5-(2,3-dimethylpiperidin-1-yl)-1,2-thiazole-4-carboxylate
PubChem CID103379602
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Nameethyl 3-amino-5-(2,3-dimethylpiperidin-1-yl)-1,2-thiazole-4-carboxylate
SMILESCCOC(=O)c1c(N)nsc1N1CCCC(C)C1C
InChIInChI=1S/C13H21N3O2S/c1-4-18-13(17)10-11(14)15-19-12(10)16-7-5-6-8(2)9(16)3/h8-9H,4-7H2,1-3H3,(H2,14,15)
InChIKeyWEIBCZNZKJQCDA-UHFFFAOYSA-N
XLogP2.53
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-3-amino-1,2-thiazole-4-carboxylate
CID 103380742
ethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103384722
methyl 3-amino-5-(2-methylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103380950
ethyl 5-(4-acetylpiperazin-1-yl)-3-amino-1,2-thiazole-4-carboxylate
CID 103381006
ethyl 3-amino-5-(2-methyl-1,4-oxazepan-4-yl)-1,2-thiazole-4-carboxylate
CID 103381673
ethyl 3-amino-5-[3-(diethylamino)pyrrolidin-1-yl]-1,2-thiazole-4-carboxylate
CID 103381790
ethyl 3-amino-5-(3,3,4-trimethylpiperazin-1-yl)-1,2-thiazole-4-carboxylate
CID 103381876
ethyl 3-amino-5-(piperidin-1-ylamino)-1,2-thiazole-4-carboxylate
CID 103383769
ethyl 3-amino-5-[(1-ethylpiperidin-4-yl)methylamino]-1,2-thiazole-4-carboxylate
CID 103379244
ethyl 3-amino-5-[2-(3-methylcyclohexyl)ethylamino]-1,2-thiazole-4-carboxylate
CID 103381310
ethyl 3-amino-5-[cyclohexylmethyl(methyl)amino]-1,2-thiazole-4-carboxylate
CID 103380786
methyl 3-amino-5-[4-(cyclopropylmethyl)piperazin-1-yl]-1,2-thiazole-4-carboxylate
CID 103380879

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-5-(2,3-dimethylpiperidin-1-yl)-1,2-thiazole-4-carboxylate?
The IUPAC name of ethyl 3-amino-5-(2,3-dimethylpiperidin-1-yl)-1,2-thiazole-4-carboxylate (CID 103379602) is ethyl 3-amino-5-(2,3-dimethylpiperidin-1-yl)-1,2-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 3-amino-5-(2,3-dimethylpiperidin-1-yl)-1,2-thiazole-4-carboxylate?
The canonical SMILES for ethyl 3-amino-5-(2,3-dimethylpiperidin-1-yl)-1,2-thiazole-4-carboxylate is CCOC(=O)c1c(N)nsc1N1CCCC(C)C1C.
What is the InChIKey of ethyl 3-amino-5-(2,3-dimethylpiperidin-1-yl)-1,2-thiazole-4-carboxylate?
The InChIKey is WEIBCZNZKJQCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-4-18-13(17)10-11(14)15-19-12(10)16-7-5-6-8(2)9(16)3/h8-9H,4-7H2,1-3H3,(H2,14,15).
What are the key properties of ethyl 3-amino-5-(2,3-dimethylpiperidin-1-yl)-1,2-thiazole-4-carboxylate?
ethyl 3-amino-5-(2,3-dimethylpiperidin-1-yl)-1,2-thiazole-4-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-5-(2,3-dimethylpiperidin-1-yl)-1,2-thiazole-4-carboxylate is sourced from PubChem (CID 103379602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).