1-[4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-furoyl)piperazine

C20H21N3O4S — CID 1517301

IUPAC[4-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCOC1=CC(=C(C=C1)OC)C2=CSC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4
InChIInChI=1S/C20H21N3O4S/c1-25-14-5-6-17(26-2)15(12-14)16-13-28-20(21-16)23-9-7-22(8-10-23)19(24)18-4-3-11-27-18/h3-6,11-13H,7-10H2,1-2H3
InChIKeyBIQKVAWFGIFLFR-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.30
Rot. Bonds5

About 1-[4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-furoyl)piperazine

1-[4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-furoyl)piperazine (PubChem CID 1517301) has the molecular formula C20H21N3O4S and a molecular weight of 399.50 g/mol. Its IUPAC name is [4-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name1-[4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-furoyl)piperazine
PubChem CID1517301
Molecular FormulaC20H21N3O4S
Molecular Weight399.50 g/mol
Exact Mass399.13
IUPAC Name[4-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCOC1=CC(=C(C=C1)OC)C2=CSC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4
InChIInChI=1S/C20H21N3O4S/c1-25-14-5-6-17(26-2)15(12-14)16-13-28-20(21-16)23-9-7-22(8-10-23)19(24)18-4-3-11-27-18/h3-6,11-13H,7-10H2,1-2H3
InChIKeyBIQKVAWFGIFLFR-UHFFFAOYSA-N
XLogP3.30
TPSA96.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity532

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-furoyl)piperazine?
The IUPAC name of 1-[4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-furoyl)piperazine (CID 1517301) is [4-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for 1-[4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-furoyl)piperazine?
The canonical SMILES for 1-[4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-furoyl)piperazine is COC1=CC(=C(C=C1)OC)C2=CSC(=N2)N3CCN(CC3)C(=O)C4=CC=CO4.
What is the InChIKey of 1-[4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-furoyl)piperazine?
The InChIKey is BIQKVAWFGIFLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S/c1-25-14-5-6-17(26-2)15(12-14)16-13-28-20(21-16)23-9-7-22(8-10-23)19(24)18-4-3-11-27-18/h3-6,11-13H,7-10H2,1-2H3.
What are the key properties of 1-[4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-furoyl)piperazine?
1-[4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-furoyl)piperazine has a molecular weight of 399.50 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-Dimethoxyphenyl)-1,3-thiazol-2-yl]-4-(2-furoyl)piperazine is sourced from PubChem (CID 1517301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).