ethyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate

C14H24N4O2S — CID 80569012

IUPACethyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N2CCN(CCN(C)C)CC2)n1
InChIInChI=1S/C14H24N4O2S/c1-4-20-13(19)12-11-21-14(15-12)18-9-7-17(8-10-18)6-5-16(2)3/h11H,4-10H2,1-3H3
InChIKeyJRQIVVKWBJGHNH-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.00
Rot. Bonds6

About ethyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate

ethyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate (PubChem CID 80569012) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is ethyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
PubChem CID80569012
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC Nameethyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1csc(N2CCN(CCN(C)C)CC2)n1
InChIInChI=1S/C14H24N4O2S/c1-4-20-13(19)12-11-21-14(15-12)18-9-7-17(8-10-18)6-5-16(2)3/h11H,4-10H2,1-3H3
InChIKeyJRQIVVKWBJGHNH-UHFFFAOYSA-N
XLogP1.00
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate (CID 80569012) is ethyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(N2CCN(CCN(C)C)CC2)n1.
What is the InChIKey of ethyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate?
The InChIKey is JRQIVVKWBJGHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-4-20-13(19)12-11-21-14(15-12)18-9-7-17(8-10-18)6-5-16(2)3/h11H,4-10H2,1-3H3.
What are the key properties of ethyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate?
ethyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate has a molecular weight of 312.44 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 80569012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).