N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide

C21H20F2N4OS — CID 30463998

IUPACN-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C21H20F2N4OS/c22-16-3-1-15(2-4-16)19-14-29-20(25-19)13-26-9-11-27(12-10-26)21(28)24-18-7-5-17(23)6-8-18/h1-8,14H,9-13H2,(H,24,28)
InChIKeyFOTPKVBVDAWEBK-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.44
Rot. Bonds4

About N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide

N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide (PubChem CID 30463998) has the molecular formula C21H20F2N4OS and a molecular weight of 414.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
PubChem CID30463998
Molecular FormulaC21H20F2N4OS
Molecular Weight414.48 g/mol
Exact Mass414.13
IUPAC NameN-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1
InChIInChI=1S/C21H20F2N4OS/c22-16-3-1-15(2-4-16)19-14-29-20(25-19)13-26-9-11-27(12-10-26)21(28)24-18-7-5-17(23)6-8-18/h1-8,14H,9-13H2,(H,24,28)
InChIKeyFOTPKVBVDAWEBK-UHFFFAOYSA-N
XLogP4.44
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-N-thiophen-2-ylpiperazine-1-carboxamide
CID 30464037
N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464150
2-(4-fluorophenyl)-1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 71780187
N-(3,4-dimethylphenyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463955
(2,4-difluorophenyl)-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]methanone;hydrochloride
CID 71780196
2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide;oxalic acid
CID 71780540
N-[(3,4-dimethoxyphenyl)methyl]-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464059
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 30464115
N-phenyl-4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30464344
N-(4-fluorophenyl)-4-hydroxy-4-[2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-4-yl]piperidine-1-carboxamide
CID 100646138
N-(1,3-benzothiazol-2-yl)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486093
N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463914

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide (CID 30463998) is N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
The InChIKey is FOTPKVBVDAWEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4OS/c22-16-3-1-15(2-4-16)19-14-29-20(25-19)13-26-9-11-27(12-10-26)21(28)24-18-7-5-17(23)6-8-18/h1-8,14H,9-13H2,(H,24,28).
What are the key properties of N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide has a molecular weight of 414.48 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 30463998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).