4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide

C22H26N4O5S — CID 30464322

IUPAC4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H26N4O5S/c1-28-18-11-15(12-19(29-2)21(18)30-3)23-22(27)26-8-6-25(7-9-26)13-20-24-16(14-32-20)17-5-4-10-31-17/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,23,27)
InChIKeyUFBIWPGIXPQTAZ-UHFFFAOYSA-N
MW458.54 g/mol
LogP3.78
Rot. Bonds7

About 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide

4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 30464322) has the molecular formula C22H26N4O5S and a molecular weight of 458.54 g/mol. Its IUPAC name is 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
PubChem CID30464322
Molecular FormulaC22H26N4O5S
Molecular Weight458.54 g/mol
Exact Mass458.16
IUPAC Name4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc(OC)c1OC
InChIInChI=1S/C22H26N4O5S/c1-28-18-11-15(12-19(29-2)21(18)30-3)23-22(27)26-8-6-25(7-9-26)13-20-24-16(14-32-20)17-5-4-10-31-17/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,23,27)
InChIKeyUFBIWPGIXPQTAZ-UHFFFAOYSA-N
XLogP3.78
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.54
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-fluorophenyl)-4-((4-(furan-2-yl)thiazol-2-yl)methyl)piperazine-1-carboxamide
CID 30868831
N-(4-chloro-2-fluorophenyl)-1-methyl-5-[4-methyl-5-(pyrrolidin-1-ylcarbonyl)-1,3-thiazol-2-yl]-1H-pyrrole-3-sulfonamide
CID 71830078
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[4-(5-methylfuran-2-yl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 16252853
N-(4-chlorophenyl)-4-((4-(furan-2-yl)thiazol-2-yl)methyl)piperazine-1-carboxamide
CID 30464278
4-[5-(furan-2-yl)-1,3,4-thiadiazol-2-yl]-N-(3,4,5-trimethoxyphenyl)piperidine-1-carboxamide
CID 30864375
4-((4-(furan-2-yl)thiazol-2-yl)methyl)-N-(thiophen-2-yl)piperazine-1-carboxamide
CID 30868840
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30869056
2-((3,4-dimethoxyphenyl)amino)-N-(4-(furan-2-yl)thiazol-2-yl)thiazole-4-carboxamide
CID 45497728
N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(4-((4-(furan-2-yl)thiazol-2-yl)methyl)piperazin-1-yl)acetamide oxalate
CID 71780571
N-(3,4-dimethoxybenzyl)-4-((4-(furan-2-yl)thiazol-2-yl)methyl)piperazine-1-carboxamide
CID 30464338
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(furan-2-yl)-5-methyl-1,3-thiazole-4-carboxamide
CID 25664677
N-(2-fluorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486533

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide (CID 30464322) is 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide is COc1cc(NC(=O)N2CCN(Cc3nc(-c4ccco4)cs3)CC2)cc(OC)c1OC.
What is the InChIKey of 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is UFBIWPGIXPQTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O5S/c1-28-18-11-15(12-19(29-2)21(18)30-3)23-22(27)26-8-6-25(7-9-26)13-20-24-16(14-32-20)17-5-4-10-31-17/h4-5,10-12,14H,6-9,13H2,1-3H3,(H,23,27).
What are the key properties of 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide?
4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 458.54 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 30464322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).