N-(4-methoxyphenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide

C23H26N4O3S — CID 1447546

IUPACN-(4-methoxyphenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3nc(-c4cccc(OC)c4)cs3)CC2)cc1
InChIInChI=1S/C23H26N4O3S/c1-29-19-8-6-18(7-9-19)24-22(28)15-26-10-12-27(13-11-26)23-25-21(16-31-23)17-4-3-5-20(14-17)30-2/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,28)
InChIKeyUSKZGRBTMDFZQY-UHFFFAOYSA-N
MW438.55 g/mol
LogP3.59
Rot. Bonds7

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

N-(4-methoxyphenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide (PubChem CID 1447546) has the molecular formula C23H26N4O3S and a molecular weight of 438.55 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
PubChem CID1447546
Molecular FormulaC23H26N4O3S
Molecular Weight438.55 g/mol
Exact Mass438.17
IUPAC NameN-(4-methoxyphenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCN(c3nc(-c4cccc(OC)c4)cs3)CC2)cc1
InChIInChI=1S/C23H26N4O3S/c1-29-19-8-6-18(7-9-19)24-22(28)15-26-10-12-27(13-11-26)23-25-21(16-31-23)17-4-3-5-20(14-17)30-2/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,28)
InChIKeyUSKZGRBTMDFZQY-UHFFFAOYSA-N
XLogP3.59
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-methoxyphenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide (CID 1447546) is N-(4-methoxyphenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCN(c3nc(-c4cccc(OC)c4)cs3)CC2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
The InChIKey is USKZGRBTMDFZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3S/c1-29-19-8-6-18(7-9-19)24-22(28)15-26-10-12-27(13-11-26)23-25-21(16-31-23)17-4-3-5-20(14-17)30-2/h3-9,14,16H,10-13,15H2,1-2H3,(H,24,28).
What are the key properties of N-(4-methoxyphenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide?
N-(4-methoxyphenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide has a molecular weight of 438.55 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-[4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 1447546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).