4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole

C17H23N3OS — CID 94777129

IUPAC4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole
SMILESCCOc1ccc(C)cc1-c1nc(N2CCNCC2)sc1C
InChIInChI=1S/C17H23N3OS/c1-4-21-15-6-5-12(2)11-14(15)16-13(3)22-17(19-16)20-9-7-18-8-10-20/h5-6,11,18H,4,7-10H2,1-3H3
InChIKeyFPCXPUCVSRBGOO-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.24
Rot. Bonds4

About 4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole

4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole (PubChem CID 94777129) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is 4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole
PubChem CID94777129
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC Name4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole
SMILESCCOc1ccc(C)cc1-c1nc(N2CCNCC2)sc1C
InChIInChI=1S/C17H23N3OS/c1-4-21-15-6-5-12(2)11-14(15)16-13(3)22-17(19-16)20-9-7-18-8-10-20/h5-6,11,18H,4,7-10H2,1-3H3
InChIKeyFPCXPUCVSRBGOO-UHFFFAOYSA-N
XLogP3.24
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole?
The IUPAC name of 4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole (CID 94777129) is 4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole.
What is the SMILES notation for 4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole?
The canonical SMILES for 4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole is CCOc1ccc(C)cc1-c1nc(N2CCNCC2)sc1C.
What is the InChIKey of 4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole?
The InChIKey is FPCXPUCVSRBGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-4-21-15-6-5-12(2)11-14(15)16-13(3)22-17(19-16)20-9-7-18-8-10-20/h5-6,11,18H,4,7-10H2,1-3H3.
What are the key properties of 4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole?
4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole has a molecular weight of 317.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-5-methylphenyl)-5-methyl-2-piperazin-1-yl-1,3-thiazole is sourced from PubChem (CID 94777129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).