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

C16H19ClN4OS — CID 1443705

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)s1
InChIInChI=1S/C16H19ClN4OS/c1-12-10-18-16(23-12)19-15(22)11-20-5-7-21(8-6-20)14-4-2-3-13(17)9-14/h2-4,9-10H,5-8,11H2,1H3,(H,18,19,22)
InChIKeyQZEQZSHKKPYWKK-UHFFFAOYSA-N
MW350.88 g/mol
LogP2.87
Rot. Bonds4

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

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 1443705) has the molecular formula C16H19ClN4OS and a molecular weight of 350.88 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID1443705
Molecular FormulaC16H19ClN4OS
Molecular Weight350.88 g/mol
Exact Mass350.10
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)s1
InChIInChI=1S/C16H19ClN4OS/c1-12-10-18-16(23-12)19-15(22)11-20-5-7-21(8-6-20)14-4-2-3-13(17)9-14/h2-4,9-10H,5-8,11H2,1H3,(H,18,19,22)
InChIKeyQZEQZSHKKPYWKK-UHFFFAOYSA-N
XLogP2.87
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.88
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
2-(4-benzhydrylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 24823686
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969
ethane;N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
CID 143962220
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
N-(5-chloro-2-fluorophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 8530050
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 4238150
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]acetamide
CID 9346578
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 3472016
N-(5-chloro-2-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731945
methyl 2-[[2-[4-(3-chlorophenyl)piperazin-1-yl]acetyl]amino]benzoate
CID 8530313

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 1443705) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)s1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is QZEQZSHKKPYWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4OS/c1-12-10-18-16(23-12)19-15(22)11-20-5-7-21(8-6-20)14-4-2-3-13(17)9-14/h2-4,9-10H,5-8,11H2,1H3,(H,18,19,22).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 350.88 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1443705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).