N-(4-acetamidophenyl)-2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide

C20H26N6O3S — CID 163368393

IUPACN-(4-acetamidophenyl)-2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1
InChIInChI=1S/C20H26N6O3S/c1-14(27)22-16-3-5-17(6-4-16)24-19(29)13-26-9-7-25(8-10-26)12-18-11-21-20(30-18)23-15(2)28/h3-6,11H,7-10,12-13H2,1-2H3,(H,22,27)(H,24,29)(H,21,23,28)
InChIKeyLDYXGTLNSBQSQJ-UHFFFAOYSA-N
MW430.53 g/mol
LogP1.82
Rot. Bonds7

About N-(4-acetamidophenyl)-2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide

N-(4-acetamidophenyl)-2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 163368393) has the molecular formula C20H26N6O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide
PubChem CID163368393
Molecular FormulaC20H26N6O3S
Molecular Weight430.53 g/mol
Exact Mass430.18
IUPAC NameN-(4-acetamidophenyl)-2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)CN2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1
InChIInChI=1S/C20H26N6O3S/c1-14(27)22-16-3-5-17(6-4-16)24-19(29)13-26-9-7-25(8-10-26)12-18-11-21-20(30-18)23-15(2)28/h3-6,11H,7-10,12-13H2,1-2H3,(H,22,27)(H,24,29)(H,21,23,28)
InChIKeyLDYXGTLNSBQSQJ-UHFFFAOYSA-N
XLogP1.82
TPSA106.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide (CID 163368393) is N-(4-acetamidophenyl)-2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide is CC(=O)Nc1ccc(NC(=O)CN2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is LDYXGTLNSBQSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O3S/c1-14(27)22-16-3-5-17(6-4-16)24-19(29)13-26-9-7-25(8-10-26)12-18-11-21-20(30-18)23-15(2)28/h3-6,11H,7-10,12-13H2,1-2H3,(H,22,27)(H,24,29)(H,21,23,28).
What are the key properties of N-(4-acetamidophenyl)-2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide?
N-(4-acetamidophenyl)-2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 430.53 g/mol, XLogP of 1.82, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 163368393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).