(2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one

C22H25N3O2S — CID 30860587

IUPAC(2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one
SMILESCC[C@@H](C(=O)N1CCN(Cc2nc(-c3ccco3)cs2)CC1)c1ccccc1
InChIInChI=1S/C22H25N3O2S/c1-2-18(17-7-4-3-5-8-17)22(26)25-12-10-24(11-13-25)15-21-23-19(16-28-21)20-9-6-14-27-20/h3-9,14,16,18H,2,10-13,15H2,1H3/t18-/m1/s1
InChIKeyUFCPKFSQEAJUGP-GOSISDBHSA-N
MW395.53 g/mol
LogP4.24
Rot. Bonds6

About (2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one

(2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one (PubChem CID 30860587) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is (2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one
PubChem CID30860587
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name(2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one
SMILESCC[C@@H](C(=O)N1CCN(Cc2nc(-c3ccco3)cs2)CC1)c1ccccc1
InChIInChI=1S/C22H25N3O2S/c1-2-18(17-7-4-3-5-8-17)22(26)25-12-10-24(11-13-25)15-21-23-19(16-28-21)20-9-6-14-27-20/h3-9,14,16,18H,2,10-13,15H2,1H3/t18-/m1/s1
InChIKeyUFCPKFSQEAJUGP-GOSISDBHSA-N
XLogP4.24
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one with MolForge

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Launch Full Analysis

Related Compounds

N-tert-butyl-4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30868826
(2-fluorophenyl)-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 30860537
2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-propylacetamide
CID 30486755
4-(furan-2-yl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 30463781
2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide;oxalic acid
CID 71780576
N-(2-fluorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486533
2-phenyl-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 46533225
methyl 4-[[2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetyl]amino]benzoate;oxalic acid
CID 71780572
N-(2,4-dimethylphenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486660
1-(4-methyl-1,4-diazepan-1-yl)-2-phenylbutan-1-one
CID 6467944
1-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-phenylbutan-1-one
CID 43251729
N-(3-chlorophenyl)-2-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780580

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one?
The IUPAC name of (2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one (CID 30860587) is (2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one.
What is the SMILES notation for (2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one?
The canonical SMILES for (2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one is CC[C@@H](C(=O)N1CCN(Cc2nc(-c3ccco3)cs2)CC1)c1ccccc1.
What is the InChIKey of (2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one?
The InChIKey is UFCPKFSQEAJUGP-GOSISDBHSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-2-18(17-7-4-3-5-8-17)22(26)25-12-10-24(11-13-25)15-21-23-19(16-28-21)20-9-6-14-27-20/h3-9,14,16,18H,2,10-13,15H2,1H3/t18-/m1/s1.
What are the key properties of (2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one?
(2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one has a molecular weight of 395.53 g/mol, XLogP of 4.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[[4-(furan-2-yl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-2-phenylbutan-1-one is sourced from PubChem (CID 30860587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).