N-[2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide

C24H30N4O4S — CID 34610515

IUPACN-[2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESCCOc1ccc(-c2nc(CN3CCN(CCNC(=O)c4ccco4)CC3)cs2)cc1OC
InChIInChI=1S/C24H30N4O4S/c1-3-31-20-7-6-18(15-22(20)30-2)24-26-19(17-33-24)16-28-12-10-27(11-13-28)9-8-25-23(29)21-5-4-14-32-21/h4-7,14-15,17H,3,8-13,16H2,1-2H3,(H,25,29)
InChIKeyPEIPPIYRSOWJSW-UHFFFAOYSA-N
MW470.60 g/mol
LogP3.36
Rot. Bonds10

About N-[2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide

N-[2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide (PubChem CID 34610515) has the molecular formula C24H30N4O4S and a molecular weight of 470.60 g/mol. Its IUPAC name is N-[2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
PubChem CID34610515
Molecular FormulaC24H30N4O4S
Molecular Weight470.60 g/mol
Exact Mass470.20
IUPAC NameN-[2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESCCOc1ccc(-c2nc(CN3CCN(CCNC(=O)c4ccco4)CC3)cs2)cc1OC
InChIInChI=1S/C24H30N4O4S/c1-3-31-20-7-6-18(15-22(20)30-2)24-26-19(17-33-24)16-28-12-10-27(11-13-28)9-8-25-23(29)21-5-4-14-32-21/h4-7,14-15,17H,3,8-13,16H2,1-2H3,(H,25,29)
InChIKeyPEIPPIYRSOWJSW-UHFFFAOYSA-N
XLogP3.36
TPSA80.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,6-dimethylphenyl)-2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide
CID 33075282
2-(4-ethoxy-3-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 31872902
N-[2-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 30870859
2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18707228
2-[[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 30725962
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]-3,4-dimethoxybenzamide
CID 110397663
N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 55454356
2-(4-ethoxy-3-methoxyphenyl)-4-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 37061583
4-ethoxy-3-methoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 86915402
[1-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanone
CID 16605901
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(furan-2-carbonylamino)propanoate
CID 7909265
(3,4-dimethoxyphenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30463113

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide (CID 34610515) is N-[2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide is CCOc1ccc(-c2nc(CN3CCN(CCNC(=O)c4ccco4)CC3)cs2)cc1OC.
What is the InChIKey of N-[2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is PEIPPIYRSOWJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4S/c1-3-31-20-7-6-18(15-22(20)30-2)24-26-19(17-33-24)16-28-12-10-27(11-13-28)9-8-25-23(29)21-5-4-14-32-21/h4-7,14-15,17H,3,8-13,16H2,1-2H3,(H,25,29).
What are the key properties of N-[2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
N-[2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 470.60 g/mol, XLogP of 3.36, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 34610515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).