2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide

C20H24F2N4O2S — CID 24791431

IUPAC2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCC(C)c1nc(CNC(=O)CC2C(=O)NCCN2Cc2cccc(F)c2F)cs1
InChIInChI=1S/C20H24F2N4O2S/c1-12(2)20-25-14(11-29-20)9-24-17(27)8-16-19(28)23-6-7-26(16)10-13-4-3-5-15(21)18(13)22/h3-5,11-12,16H,6-10H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyYBVIRTANQHUUAY-UHFFFAOYSA-N
MW422.50 g/mol
LogP2.55
Rot. Bonds7

About 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide

2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 24791431) has the molecular formula C20H24F2N4O2S and a molecular weight of 422.50 g/mol. Its IUPAC name is 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID24791431
Molecular FormulaC20H24F2N4O2S
Molecular Weight422.50 g/mol
Exact Mass422.16
IUPAC Name2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCC(C)c1nc(CNC(=O)CC2C(=O)NCCN2Cc2cccc(F)c2F)cs1
InChIInChI=1S/C20H24F2N4O2S/c1-12(2)20-25-14(11-29-20)9-24-17(27)8-16-19(28)23-6-7-26(16)10-13-4-3-5-15(21)18(13)22/h3-5,11-12,16H,6-10H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyYBVIRTANQHUUAY-UHFFFAOYSA-N
XLogP2.55
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.50
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 24791431) is 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide is CC(C)c1nc(CNC(=O)CC2C(=O)NCCN2Cc2cccc(F)c2F)cs1.
What is the InChIKey of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is YBVIRTANQHUUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O2S/c1-12(2)20-25-14(11-29-20)9-24-17(27)8-16-19(28)23-6-7-26(16)10-13-4-3-5-15(21)18(13)22/h3-5,11-12,16H,6-10H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 422.50 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,3-difluorophenyl)methyl]-3-oxopiperazin-2-yl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 24791431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).