2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole

C21H26N4S2 — CID 60501855

IUPAC2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCC(C)c1nc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)cs1
InChIInChI=1S/C21H26N4S2/c1-16(2)20-22-18(14-26-20)12-24-8-10-25(11-9-24)13-19-15-27-21(23-19)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3
InChIKeyWFWWWFYZIWRLEG-UHFFFAOYSA-N
MW398.60 g/mol
LogP4.71
Rot. Bonds6

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

2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 60501855) has the molecular formula C21H26N4S2 and a molecular weight of 398.60 g/mol. Its IUPAC name is 2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID60501855
Molecular FormulaC21H26N4S2
Molecular Weight398.60 g/mol
Exact Mass398.16
IUPAC Name2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
SMILESCC(C)c1nc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)cs1
InChIInChI=1S/C21H26N4S2/c1-16(2)20-22-18(14-26-20)12-24-8-10-25(11-9-24)13-19-15-27-21(23-19)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3
InChIKeyWFWWWFYZIWRLEG-UHFFFAOYSA-N
XLogP4.71
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.60
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-amino-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 119839413
4-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 22195641
4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butanenitrile
CID 51075203
4-[[(3R)-3-phenylpyrrolidin-1-yl]methyl]-2-propan-2-yl-1,3-thiazole
CID 95339542
2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 120703470
3-amino-2-methyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 120502707
3-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanoic acid
CID 61487318
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-4-one
CID 61487353
2-ethyl-5-[[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 30411659
2,2-dimethyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 37274617
4-[[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 22195276
4-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 4826311

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole (CID 60501855) is 2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole is CC(C)c1nc(CN2CCN(Cc3csc(-c4ccccc4)n3)CC2)cs1.
What is the InChIKey of 2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is WFWWWFYZIWRLEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4S2/c1-16(2)20-22-18(14-26-20)12-24-8-10-25(11-9-24)13-19-15-27-21(23-19)17-6-4-3-5-7-17/h3-7,14-16H,8-13H2,1-2H3.
What are the key properties of 2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole?
2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 398.60 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 60501855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).