N-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C22H32N4OS — CID 78817352

IUPACN-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CN2CCN(CC(C)C)CC2)cs1
InChIInChI=1S/C22H32N4OS/c1-5-19-8-6-7-9-21(19)26(18(4)27)22-23-20(16-28-22)15-25-12-10-24(11-13-25)14-17(2)3/h6-9,16-17H,5,10-15H2,1-4H3
InChIKeyXCGZALKTDOUJDE-UHFFFAOYSA-N
MW400.59 g/mol
LogP4.16
Rot. Bonds7

About N-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 78817352) has the molecular formula C22H32N4OS and a molecular weight of 400.59 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID78817352
Molecular FormulaC22H32N4OS
Molecular Weight400.59 g/mol
Exact Mass400.23
IUPAC NameN-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCc1ccccc1N(C(C)=O)c1nc(CN2CCN(CC(C)C)CC2)cs1
InChIInChI=1S/C22H32N4OS/c1-5-19-8-6-7-9-21(19)26(18(4)27)22-23-20(16-28-22)15-25-12-10-24(11-13-25)14-17(2)3/h6-9,16-17H,5,10-15H2,1-4H3
InChIKeyXCGZALKTDOUJDE-UHFFFAOYSA-N
XLogP4.16
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.59
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 78817352) is N-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CCc1ccccc1N(C(C)=O)c1nc(CN2CCN(CC(C)C)CC2)cs1.
What is the InChIKey of N-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is XCGZALKTDOUJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4OS/c1-5-19-8-6-7-9-21(19)26(18(4)27)22-23-20(16-28-22)15-25-12-10-24(11-13-25)14-17(2)3/h6-9,16-17H,5,10-15H2,1-4H3.
What are the key properties of N-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 400.59 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N-[4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 78817352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).