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

C21H21ClN4O2S2 — CID 27860869

IUPACN-(2-chlorophenyl)-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C21H21ClN4O2S2/c1-14-19(30-20(23-14)15-6-11-29-13-15)21(28)26-9-7-25(8-10-26)12-18(27)24-17-5-3-2-4-16(17)22/h2-6,11,13H,7-10,12H2,1H3,(H,24,27)
InChIKeyVBFBGJOQBLYHLG-UHFFFAOYSA-N
MW461.01 g/mol
LogP4.23
Rot. Bonds5

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

N-(2-chlorophenyl)-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide (PubChem CID 27860869) has the molecular formula C21H21ClN4O2S2 and a molecular weight of 461.01 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
PubChem CID27860869
Molecular FormulaC21H21ClN4O2S2
Molecular Weight461.01 g/mol
Exact Mass460.08
IUPAC NameN-(2-chlorophenyl)-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
SMILESCc1nc(-c2ccsc2)sc1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C21H21ClN4O2S2/c1-14-19(30-20(23-14)15-6-11-29-13-15)21(28)26-9-7-25(8-10-26)12-18(27)24-17-5-3-2-4-16(17)22/h2-6,11,13H,7-10,12H2,1H3,(H,24,27)
InChIKeyVBFBGJOQBLYHLG-UHFFFAOYSA-N
XLogP4.23
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.01
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-chlorophenyl)-2-[4-(4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 26815081
N-ethyl-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 55912564
N-(2-chlorophenyl)-2-[4-(2-methyl-4-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 24503747
N,N-diethyl-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 46547101
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 9077341
[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 92515986
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 9092541
2,2-dimethyl-1-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]propan-1-one
CID 134021678
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 37016360
[4-(2-fluorophenyl)piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 26584846
N-cyclopropyl-2-[4-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide
CID 17404082
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-methyl-2-thiophen-3-yl-1,3-thiazol-5-yl)methanone
CID 39979423

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide (CID 27860869) is N-(2-chlorophenyl)-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide is Cc1nc(-c2ccsc2)sc1C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is VBFBGJOQBLYHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O2S2/c1-14-19(30-20(23-14)15-6-11-29-13-15)21(28)26-9-7-25(8-10-26)12-18(27)24-17-5-3-2-4-16(17)22/h2-6,11,13H,7-10,12H2,1H3,(H,24,27).
What are the key properties of N-(2-chlorophenyl)-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 461.01 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 27860869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).