N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide

C23H26N4O2S — CID 45222436

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
SMILESCc1nc(CNC(=O)CC2C(=O)NCCN2Cc2ccc3ccccc3c2)sc1C
InChIInChI=1S/C23H26N4O2S/c1-15-16(2)30-22(26-15)13-25-21(28)12-20-23(29)24-9-10-27(20)14-17-7-8-18-5-3-4-6-19(18)11-17/h3-8,11,20H,9-10,12-14H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyTVKYTGKAZLLJAH-UHFFFAOYSA-N
MW422.55 g/mol
LogP2.92
Rot. Bonds6

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide (PubChem CID 45222436) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
PubChem CID45222436
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide
SMILESCc1nc(CNC(=O)CC2C(=O)NCCN2Cc2ccc3ccccc3c2)sc1C
InChIInChI=1S/C23H26N4O2S/c1-15-16(2)30-22(26-15)13-25-21(28)12-20-23(29)24-9-10-27(20)14-17-7-8-18-5-3-4-6-19(18)11-17/h3-8,11,20H,9-10,12-14H2,1-2H3,(H,24,29)(H,25,28)
InChIKeyTVKYTGKAZLLJAH-UHFFFAOYSA-N
XLogP2.92
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide (CID 45222436) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide is Cc1nc(CNC(=O)CC2C(=O)NCCN2Cc2ccc3ccccc3c2)sc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
The InChIKey is TVKYTGKAZLLJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-15-16(2)30-22(26-15)13-25-21(28)12-20-23(29)24-9-10-27(20)14-17-7-8-18-5-3-4-6-19(18)11-17/h3-8,11,20H,9-10,12-14H2,1-2H3,(H,24,29)(H,25,28).
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide has a molecular weight of 422.55 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-[1-(naphthalen-2-ylmethyl)-3-oxopiperazin-2-yl]acetamide is sourced from PubChem (CID 45222436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).