N-[(2,5-dimethylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide

C23H25FN4OS — CID 71840295

IUPACN-[(2,5-dimethylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C)c(CNC(=O)c2csc(N3CCN(c4ccccc4F)CC3)n2)c1
InChIInChI=1S/C23H25FN4OS/c1-16-7-8-17(2)18(13-16)14-25-22(29)20-15-30-23(26-20)28-11-9-27(10-12-28)21-6-4-3-5-19(21)24/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,29)
InChIKeyXWRMMIKWDOTVMW-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.16
Rot. Bonds5

About N-[(2,5-dimethylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide

N-[(2,5-dimethylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 71840295) has the molecular formula C23H25FN4OS and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[(2,5-dimethylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID71840295
Molecular FormulaC23H25FN4OS
Molecular Weight424.55 g/mol
Exact Mass424.17
IUPAC NameN-[(2,5-dimethylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(C)c(CNC(=O)c2csc(N3CCN(c4ccccc4F)CC3)n2)c1
InChIInChI=1S/C23H25FN4OS/c1-16-7-8-17(2)18(13-16)14-25-22(29)20-15-30-23(26-20)28-11-9-27(10-12-28)21-6-4-3-5-19(21)24/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,29)
InChIKeyXWRMMIKWDOTVMW-UHFFFAOYSA-N
XLogP4.16
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methylsulfanylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 71840291
N-[[4-(dimethylamino)phenyl]methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 71840289
2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxylic acid
CID 80568894
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 71840401
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53161077
2-(2,5-dimethylphenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 92681315
N-[(2,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793358
[2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazol-4-yl]-(4-propylpiperazin-1-yl)methanone
CID 53161140
ethyl 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-thiazole-4-carboxylate
CID 3011135
2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 53200928
N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161069
N-[(4-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161103

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2,5-dimethylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide (CID 71840295) is N-[(2,5-dimethylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2,5-dimethylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2,5-dimethylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide is Cc1ccc(C)c(CNC(=O)c2csc(N3CCN(c4ccccc4F)CC3)n2)c1.
What is the InChIKey of N-[(2,5-dimethylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is XWRMMIKWDOTVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4OS/c1-16-7-8-17(2)18(13-16)14-25-22(29)20-15-30-23(26-20)28-11-9-27(10-12-28)21-6-4-3-5-19(21)24/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,29).
What are the key properties of N-[(2,5-dimethylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
N-[(2,5-dimethylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylphenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71840295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).