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

C21H19F3N4OS — CID 71840330

IUPACN-[(2,5-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)c1csc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C21H19F3N4OS/c22-15-5-6-16(23)14(11-15)12-25-20(29)18-13-30-21(26-18)28-9-7-27(8-10-28)19-4-2-1-3-17(19)24/h1-6,11,13H,7-10,12H2,(H,25,29)
InChIKeyOOOGNZZIMCWWCJ-UHFFFAOYSA-N
MW432.47 g/mol
LogP3.82
Rot. Bonds5

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

N-[(2,5-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 71840330) has the molecular formula C21H19F3N4OS and a molecular weight of 432.47 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID71840330
Molecular FormulaC21H19F3N4OS
Molecular Weight432.47 g/mol
Exact Mass432.12
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)c1csc(N2CCN(c3ccccc3F)CC2)n1
InChIInChI=1S/C21H19F3N4OS/c22-15-5-6-16(23)14(11-15)12-25-20(29)18-13-30-21(26-18)28-9-7-27(8-10-28)19-4-2-1-3-17(19)24/h1-6,11,13H,7-10,12H2,(H,25,29)
InChIKeyOOOGNZZIMCWWCJ-UHFFFAOYSA-N
XLogP3.82
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide (CID 71840330) is N-[(2,5-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide is O=C(NCc1cc(F)ccc1F)c1csc(N2CCN(c3ccccc3F)CC2)n1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is OOOGNZZIMCWWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4OS/c22-15-5-6-16(23)14(11-15)12-25-20(29)18-13-30-21(26-18)28-9-7-27(8-10-28)19-4-2-1-3-17(19)24/h1-6,11,13H,7-10,12H2,(H,25,29).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
N-[(2,5-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 432.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-[4-(2-fluorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 71840330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).