2-methyl-4-[[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-thiazole

C21H25N3OS — CID 77088274

IUPAC2-methyl-4-[[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1ccc(-c2cccc(CN3CCN(Cc4csc(C)n4)CC3)c2)o1
InChIInChI=1S/C21H25N3OS/c1-16-6-7-21(25-16)19-5-3-4-18(12-19)13-23-8-10-24(11-9-23)14-20-15-26-17(2)22-20/h3-7,12,15H,8-11,13-14H2,1-2H3
InChIKeyKJHCDBSLKQYWNE-UHFFFAOYSA-N
MW367.52 g/mol
LogP4.34
Rot. Bonds5

About 2-methyl-4-[[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-thiazole

2-methyl-4-[[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 77088274) has the molecular formula C21H25N3OS and a molecular weight of 367.52 g/mol. Its IUPAC name is 2-methyl-4-[[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-methyl-4-[[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID77088274
Molecular FormulaC21H25N3OS
Molecular Weight367.52 g/mol
Exact Mass367.17
IUPAC Name2-methyl-4-[[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCc1ccc(-c2cccc(CN3CCN(Cc4csc(C)n4)CC3)c2)o1
InChIInChI=1S/C21H25N3OS/c1-16-6-7-21(25-16)19-5-3-4-18(12-19)13-23-8-10-24(11-9-23)14-20-15-26-17(2)22-20/h3-7,12,15H,8-11,13-14H2,1-2H3
InChIKeyKJHCDBSLKQYWNE-UHFFFAOYSA-N
XLogP4.34
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
8-[[3-(5-methylfuran-2-yl)phenyl]methyl]-1,3-dioxa-8-azaspiro[4.5]decan-2-one
CID 74232415
4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 22195276
1-(furan-2-yl)-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethane-1,2-dione
CID 77081258
4-[[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 172891269
ethane;2-methyl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 143966374
2-methyl-4-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)-1,3-thiazole
CID 157011120
4-[[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 17375794
4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-2-(5-methylfuran-2-yl)-1,3-thiazole
CID 36925899
3-(3-chlorophenyl)-5-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,2,4-oxadiazole
CID 133282480
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 24632141
4-[[4-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]piperazin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 77097298

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-methyl-4-[[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-thiazole (CID 77088274) is 2-methyl-4-[[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-methyl-4-[[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-methyl-4-[[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-thiazole is Cc1ccc(-c2cccc(CN3CCN(Cc4csc(C)n4)CC3)c2)o1.
What is the InChIKey of 2-methyl-4-[[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is KJHCDBSLKQYWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3OS/c1-16-6-7-21(25-16)19-5-3-4-18(12-19)13-23-8-10-24(11-9-23)14-20-15-26-17(2)22-20/h3-7,12,15H,8-11,13-14H2,1-2H3.
What are the key properties of 2-methyl-4-[[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-thiazole?
2-methyl-4-[[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 367.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[4-[[3-(5-methylfuran-2-yl)phenyl]methyl]piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 77088274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).