2-[4-[(4-fluorosulfonyloxyphenyl)carbamoyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

C15H14F4N4O4S2 — CID 154873327

IUPAC2-[4-[(4-fluorosulfonyloxyphenyl)carbamoyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESO=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CCN(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C15H14F4N4O4S2/c16-15(17,18)12-9-28-14(21-12)23-7-5-22(6-8-23)13(24)20-10-1-3-11(4-2-10)27-29(19,25)26/h1-4,9H,5-8H2,(H,20,24)
InChIKeyJUAGLVBXFCLIDD-UHFFFAOYSA-N
MW454.43 g/mol
LogP3.11
Rot. Bonds4

About 2-[4-[(4-fluorosulfonyloxyphenyl)carbamoyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole

2-[4-[(4-fluorosulfonyloxyphenyl)carbamoyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 154873327) has the molecular formula C15H14F4N4O4S2 and a molecular weight of 454.43 g/mol. Its IUPAC name is 2-[4-[(4-fluorosulfonyloxyphenyl)carbamoyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[4-[(4-fluorosulfonyloxyphenyl)carbamoyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID154873327
Molecular FormulaC15H14F4N4O4S2
Molecular Weight454.43 g/mol
Exact Mass454.04
IUPAC Name2-[4-[(4-fluorosulfonyloxyphenyl)carbamoyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESO=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CCN(c2nc(C(F)(F)F)cs2)CC1
InChIInChI=1S/C15H14F4N4O4S2/c16-15(17,18)12-9-28-14(21-12)23-7-5-22(6-8-23)13(24)20-10-1-3-11(4-2-10)27-29(19,25)26/h1-4,9H,5-8H2,(H,20,24)
InChIKeyJUAGLVBXFCLIDD-UHFFFAOYSA-N
XLogP3.11
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.43
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl] 2,2-dimethylpropanoate
CID 174933563
trans-(1R,2R)-2-[4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 167872607
4-(4-methyl-1,3-thiazol-2-yl)-N-pyridin-4-yl-1,4-diazepane-1-carboxamide
CID 86836952
4-[2-amino-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 140656979
N-(3-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 1447625
4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518
4-pyridin-4-yl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperazine-1-carboxamide
CID 86988135
4-(5-bromo-2-pyridinyl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 78874916
N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 122176304
N-(5-fluoro-2-pyridinyl)-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 99596550
4-[(2,5-dimethoxyphenyl)methyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 78874889
4-(2-aminothieno[2,3-d]pyrimidin-4-yl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 118611759

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorosulfonyloxyphenyl)carbamoyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[4-[(4-fluorosulfonyloxyphenyl)carbamoyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 154873327) is 2-[4-[(4-fluorosulfonyloxyphenyl)carbamoyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[4-[(4-fluorosulfonyloxyphenyl)carbamoyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[4-[(4-fluorosulfonyloxyphenyl)carbamoyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is O=C(Nc1ccc(OS(=O)(=O)F)cc1)N1CCN(c2nc(C(F)(F)F)cs2)CC1.
What is the InChIKey of 2-[4-[(4-fluorosulfonyloxyphenyl)carbamoyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is JUAGLVBXFCLIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N4O4S2/c16-15(17,18)12-9-28-14(21-12)23-7-5-22(6-8-23)13(24)20-10-1-3-11(4-2-10)27-29(19,25)26/h1-4,9H,5-8H2,(H,20,24).
What are the key properties of 2-[4-[(4-fluorosulfonyloxyphenyl)carbamoyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[4-[(4-fluorosulfonyloxyphenyl)carbamoyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 454.43 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorosulfonyloxyphenyl)carbamoyl]piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 154873327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).