ethyl 2-amino-3-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoate

C13H20ClN3O2S — CID 170884980

IUPACethyl 2-amino-3-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoate
SMILESCCOC(=O)C(N)Cc1sc(N2CCCCC2)nc1Cl
InChIInChI=1S/C13H20ClN3O2S/c1-2-19-12(18)9(15)8-10-11(14)16-13(20-10)17-6-4-3-5-7-17/h9H,2-8,15H2,1H3
InChIKeyNFUCODBTJHDCGD-UHFFFAOYSA-N
MW317.84 g/mol
LogP2.22
Rot. Bonds5

About ethyl 2-amino-3-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoate

ethyl 2-amino-3-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoate (PubChem CID 170884980) has the molecular formula C13H20ClN3O2S and a molecular weight of 317.84 g/mol. Its IUPAC name is ethyl 2-amino-3-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoate
PubChem CID170884980
Molecular FormulaC13H20ClN3O2S
Molecular Weight317.84 g/mol
Exact Mass317.10
IUPAC Nameethyl 2-amino-3-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoate
SMILESCCOC(=O)C(N)Cc1sc(N2CCCCC2)nc1Cl
InChIInChI=1S/C13H20ClN3O2S/c1-2-19-12(18)9(15)8-10-11(14)16-13(20-10)17-6-4-3-5-7-17/h9H,2-8,15H2,1H3
InChIKeyNFUCODBTJHDCGD-UHFFFAOYSA-N
XLogP2.22
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-amino-3-[4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propanoate
CID 170884981
methyl 2-amino-3-[4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propanoate
CID 170883561
2-amino-3-(4-methoxy-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoic acid
CID 170880284
ethyl 5-chloro-2-piperidin-1-yl-1,3-thiazole-4-carboxylate
CID 97035612
1-[4-chloro-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]butan-2-amine
CID 170888869
ethyl 2-amino-3-(2,5-dichloro-4-piperidin-1-ylphenyl)propanoate
CID 170885745
ethyl 2-amino-3-(2-chloro-4-piperidin-1-ylphenyl)propanoate
CID 170885740
ethyl 2-amino-3-(2-chloro-5-methyl-4-pyrrolidin-1-ylphenyl)propanoate
CID 170885766
(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 46785718
ethyl 1-(4-chloro-5-formyl-1,3-thiazol-2-yl)piperidine-3-carboxylate
CID 53273642
ethyl N-(4-chloro-2-piperidin-1-yl-1,3-benzothiazol-7-yl)carbamate
CID 18916415
[4-chloro-2-(4-propylazepan-1-yl)-1,3-thiazol-5-yl]methanol
CID 80692314

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoate?
The IUPAC name of ethyl 2-amino-3-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoate (CID 170884980) is ethyl 2-amino-3-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoate is CCOC(=O)C(N)Cc1sc(N2CCCCC2)nc1Cl.
What is the InChIKey of ethyl 2-amino-3-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoate?
The InChIKey is NFUCODBTJHDCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O2S/c1-2-19-12(18)9(15)8-10-11(14)16-13(20-10)17-6-4-3-5-7-17/h9H,2-8,15H2,1H3.
What are the key properties of ethyl 2-amino-3-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoate?
ethyl 2-amino-3-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoate has a molecular weight of 317.84 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(4-chloro-2-piperidin-1-yl-1,3-thiazol-5-yl)propanoate is sourced from PubChem (CID 170884980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).