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

C13H21N3O2S — CID 82022000

IUPACethyl 2-amino-4-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1N1CC(C)CC(C)C1
InChIInChI=1S/C13H21N3O2S/c1-4-18-12(17)10-11(15-13(14)19-10)16-6-8(2)5-9(3)7-16/h8-9H,4-7H2,1-3H3,(H2,14,15)
InChIKeyDUBSGHXVYVYHBZ-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.38
Rot. Bonds3

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

ethyl 2-amino-4-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate (PubChem CID 82022000) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is ethyl 2-amino-4-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
PubChem CID82022000
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Nameethyl 2-amino-4-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N)nc1N1CC(C)CC(C)C1
InChIInChI=1S/C13H21N3O2S/c1-4-18-12(17)10-11(15-13(14)19-10)16-6-8(2)5-9(3)7-16/h8-9H,4-7H2,1-3H3,(H2,14,15)
InChIKeyDUBSGHXVYVYHBZ-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-amino-4-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate (CID 82022000) is ethyl 2-amino-4-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-amino-4-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N)nc1N1CC(C)CC(C)C1.
What is the InChIKey of ethyl 2-amino-4-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
The InChIKey is DUBSGHXVYVYHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-4-18-12(17)10-11(15-13(14)19-10)16-6-8(2)5-9(3)7-16/h8-9H,4-7H2,1-3H3,(H2,14,15).
What are the key properties of ethyl 2-amino-4-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate?
ethyl 2-amino-4-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate has a molecular weight of 283.40 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(3,5-dimethylpiperidin-1-yl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 82022000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).