N-[2-(2,6-difluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

C17H20F2N4OS — CID 51125413

IUPACN-[2-(2,6-difluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1c(F)cccc1F)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C17H20F2N4OS/c18-15-2-1-3-16(19)14(15)4-5-20-17(24)23-8-6-22(7-9-23)10-13-11-25-12-21-13/h1-3,11-12H,4-10H2,(H,20,24)
InChIKeyAMOZXNNMASCDOH-UHFFFAOYSA-N
MW366.44 g/mol
LogP2.49
Rot. Bonds5

About N-[2-(2,6-difluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide

N-[2-(2,6-difluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 51125413) has the molecular formula C17H20F2N4OS and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
PubChem CID51125413
Molecular FormulaC17H20F2N4OS
Molecular Weight366.44 g/mol
Exact Mass366.13
IUPAC NameN-[2-(2,6-difluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCCc1c(F)cccc1F)N1CCN(Cc2cscn2)CC1
InChIInChI=1S/C17H20F2N4OS/c18-15-2-1-3-16(19)14(15)4-5-20-17(24)23-8-6-22(7-9-23)10-13-11-25-12-21-13/h1-3,11-12H,4-10H2,(H,20,24)
InChIKeyAMOZXNNMASCDOH-UHFFFAOYSA-N
XLogP2.49
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide (CID 51125413) is N-[2-(2,6-difluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide is O=C(NCCc1c(F)cccc1F)N1CCN(Cc2cscn2)CC1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is AMOZXNNMASCDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4OS/c18-15-2-1-3-16(19)14(15)4-5-20-17(24)23-8-6-22(7-9-23)10-13-11-25-12-21-13/h1-3,11-12H,4-10H2,(H,20,24).
What are the key properties of N-[2-(2,6-difluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide?
N-[2-(2,6-difluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)ethyl]-4-(1,3-thiazol-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 51125413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).