N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

C17H20F2N4O2S — CID 51324856

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccc(OC(F)F)cc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H20F2N4O2S/c18-15(19)25-14-3-1-13(2-4-14)5-6-20-16(24)22-8-10-23(11-9-22)17-21-7-12-26-17/h1-4,7,12,15H,5-6,8-11H2,(H,20,24)
InChIKeyLSJUDFAVVMILBZ-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.82
Rot. Bonds6

About N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 51324856) has the molecular formula C17H20F2N4O2S and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID51324856
Molecular FormulaC17H20F2N4O2S
Molecular Weight382.44 g/mol
Exact Mass382.13
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(NCCc1ccc(OC(F)F)cc1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C17H20F2N4O2S/c18-15(19)25-14-3-1-13(2-4-14)5-6-20-16(24)22-8-10-23(11-9-22)17-21-7-12-26-17/h1-4,7,12,15H,5-6,8-11H2,(H,20,24)
InChIKeyLSJUDFAVVMILBZ-UHFFFAOYSA-N
XLogP2.82
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 51324856) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(NCCc1ccc(OC(F)F)cc1)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is LSJUDFAVVMILBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2S/c18-15(19)25-14-3-1-13(2-4-14)5-6-20-16(24)22-8-10-23(11-9-22)17-21-7-12-26-17/h1-4,7,12,15H,5-6,8-11H2,(H,20,24).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 382.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 51324856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).