N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

C20H21ClN4OS2 — CID 18198223

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2csc(-c3cccs3)n2)CC1
InChIInChI=1S/C20H21ClN4OS2/c1-24-6-8-25(9-7-24)17-5-4-14(21)11-16(17)23-19(26)12-15-13-28-20(22-15)18-3-2-10-27-18/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,26)
InChIKeyYZEXTXVXIQILRQ-UHFFFAOYSA-N
MW433.00 g/mol
LogP4.46
Rot. Bonds5

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 18198223) has the molecular formula C20H21ClN4OS2 and a molecular weight of 433.00 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID18198223
Molecular FormulaC20H21ClN4OS2
Molecular Weight433.00 g/mol
Exact Mass432.08
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)Cc2csc(-c3cccs3)n2)CC1
InChIInChI=1S/C20H21ClN4OS2/c1-24-6-8-25(9-7-24)17-5-4-14(21)11-16(17)23-19(26)12-15-13-28-20(22-15)18-3-2-10-27-18/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,26)
InChIKeyYZEXTXVXIQILRQ-UHFFFAOYSA-N
XLogP4.46
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.00
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
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N-(5-chloro-2-fluorophenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
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N-[2-(4-methylpiperazin-1-yl)phenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
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N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
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N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-thiophen-2-ylacetamide
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N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534808
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethanone
CID 39348799
N-[(4-chlorophenyl)methyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27666069
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-1,3-dimethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide (CID 18198223) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is CN1CCN(c2ccc(Cl)cc2NC(=O)Cc2csc(-c3cccs3)n2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is YZEXTXVXIQILRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4OS2/c1-24-6-8-25(9-7-24)17-5-4-14(21)11-16(17)23-19(26)12-15-13-28-20(22-15)18-3-2-10-27-18/h2-5,10-11,13H,6-9,12H2,1H3,(H,23,26).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 433.00 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 18198223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).