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

C23H23ClN4O2S — CID 24503747

IUPACN-(2-chlorophenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)s1
InChIInChI=1S/C23H23ClN4O2S/c1-16-25-21(17-7-3-2-4-8-17)22(31-16)23(30)28-13-11-27(12-14-28)15-20(29)26-19-10-6-5-9-18(19)24/h2-10H,11-15H2,1H3,(H,26,29)
InChIKeyMAYZLKRSNCXWGR-UHFFFAOYSA-N
MW454.98 g/mol
LogP4.17
Rot. Bonds5

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

N-(2-chlorophenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide (PubChem CID 24503747) has the molecular formula C23H23ClN4O2S and a molecular weight of 454.98 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
PubChem CID24503747
Molecular FormulaC23H23ClN4O2S
Molecular Weight454.98 g/mol
Exact Mass454.12
IUPAC NameN-(2-chlorophenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
SMILESCc1nc(-c2ccccc2)c(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)s1
InChIInChI=1S/C23H23ClN4O2S/c1-16-25-21(17-7-3-2-4-8-17)22(31-16)23(30)28-13-11-27(12-14-28)15-20(29)26-19-10-6-5-9-18(19)24/h2-10H,11-15H2,1H3,(H,26,29)
InChIKeyMAYZLKRSNCXWGR-UHFFFAOYSA-N
XLogP4.17
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.98
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-benzylpiperazin-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 9071369
(2-methyl-4-phenyl-1,3-thiazol-5-yl)-pyrrolidin-1-ylmethanone
CID 24638936
N-(2-chlorophenyl)-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 27860869
N-(2-chlorophenyl)-2-[4-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 26815081
(4-benzyl-1,4-diazepan-1-yl)-(2-methyl-4-phenyl-1,3-thiazol-5-yl)methanone
CID 30545018
2-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 8749038
2-[4-(5-acetamidothiophene-2-carbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 24610695
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 29161450
N-(2-chlorophenyl)-2-[4-(3-methylfuran-2-carbonyl)piperazin-1-yl]acetamide
CID 31333538
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
4-[2-(2-chloroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
CID 17447421
N-(2-chlorophenyl)-2-[4-[(5-methyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 29103255

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide (CID 24503747) is N-(2-chlorophenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide is Cc1nc(-c2ccccc2)c(C(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)s1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is MAYZLKRSNCXWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O2S/c1-16-25-21(17-7-3-2-4-8-17)22(31-16)23(30)28-13-11-27(12-14-28)15-20(29)26-19-10-6-5-9-18(19)24/h2-10H,11-15H2,1H3,(H,26,29).
What are the key properties of N-(2-chlorophenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 454.98 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24503747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).