N-[5-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide

C20H22N4O2S — CID 23144191

IUPACN-[5-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccco2)c(N2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C20H22N4O2S/c1-15(25)21-20-22-18(17-8-5-13-26-17)19(27-20)24-11-9-23(10-12-24)14-16-6-3-2-4-7-16/h2-8,13H,9-12,14H2,1H3,(H,21,22,25)
InChIKeyOPPCXGWUOZUOKQ-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.68
Rot. Bonds5

About N-[5-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide

N-[5-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide (PubChem CID 23144191) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[5-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide
PubChem CID23144191
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[5-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(-c2ccco2)c(N2CCN(Cc3ccccc3)CC2)s1
InChIInChI=1S/C20H22N4O2S/c1-15(25)21-20-22-18(17-8-5-13-26-17)19(27-20)24-11-9-23(10-12-24)14-16-6-3-2-4-7-16/h2-8,13H,9-12,14H2,1H3,(H,21,22,25)
InChIKeyOPPCXGWUOZUOKQ-UHFFFAOYSA-N
XLogP3.68
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-benzyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-yl)acetamide
CID 19985779
N-[4-(furan-2-yl)-5-piperidin-1-yl-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23144164
N-[4-(furan-2-yl)-5-(pyridine-2-carbonyl)-1,3-thiazol-2-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 23144406
N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 17163599
N-[5-[2-(4-benzylpiperazin-1-yl)ethylcarbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 39983594
N-[5-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide;hydrochloride
CID 171151142
N-[4-(furan-2-yl)-5-(oxane-4-carbonyl)-1,3-thiazol-2-yl]-4-[(4-hydroxypiperidin-1-yl)methyl]benzamide
CID 23144560
N-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]acetamide
CID 29173280
N-[5-(1-benzyl-6-oxopyridine-3-carbonyl)-4-(furan-2-yl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 23144556
2-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-6-(trifluoromethyl)pyrimidine chloride
CID 53346658
[4-(furan-2-yl)-2-(methylamino)-1,3-thiazol-5-yl]-phenylmethanone
CID 44581364
1-(4-benzylpiperazin-1-yl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 8663343

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide (CID 23144191) is N-[5-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(-c2ccco2)c(N2CCN(Cc3ccccc3)CC2)s1.
What is the InChIKey of N-[5-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is OPPCXGWUOZUOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-15(25)21-20-22-18(17-8-5-13-26-17)19(27-20)24-11-9-23(10-12-24)14-16-6-3-2-4-7-16/h2-8,13H,9-12,14H2,1H3,(H,21,22,25).
What are the key properties of N-[5-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide?
N-[5-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 382.49 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-benzylpiperazin-1-yl)-4-(furan-2-yl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 23144191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).