4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide

C22H23ClN4O2S — CID 30464115

IUPAC4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)cs3)CC2)c1
InChIInChI=1S/C22H23ClN4O2S/c1-29-19-4-2-3-18(13-19)24-22(28)27-11-9-26(10-12-27)14-21-25-20(15-30-21)16-5-7-17(23)8-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,24,28)
InChIKeyUMOIPUUGQSJITP-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.82
Rot. Bonds5

About 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide

4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 30464115) has the molecular formula C22H23ClN4O2S and a molecular weight of 442.97 g/mol. Its IUPAC name is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
PubChem CID30464115
Molecular FormulaC22H23ClN4O2S
Molecular Weight442.97 g/mol
Exact Mass442.12
IUPAC Name4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)cs3)CC2)c1
InChIInChI=1S/C22H23ClN4O2S/c1-29-19-4-2-3-18(13-19)24-22(28)27-11-9-26(10-12-27)14-21-25-20(15-30-21)16-5-7-17(23)8-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,24,28)
InChIKeyUMOIPUUGQSJITP-UHFFFAOYSA-N
XLogP4.82
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464150
N-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30868820
N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30463998
N-benzhydryl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464237
N-(3-methoxyphenyl)-4-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 1447625
N-(3,4-dimethylphenyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463955
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(3-methoxyphenyl)-1,3-thiazole
CID 30463720
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide
CID 30464073
4-[[6-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 90488688
N-(3-methoxyphenyl)-4-propyl-1,4-diazepane-1-carboxamide
CID 47090396
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463647
N-(3-methoxyphenyl)-4-[(5-phenyl-1,3-benzoxazol-2-yl)methyl]piperazine-1-carboxamide
CID 53085289

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide (CID 30464115) is 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide is COc1cccc(NC(=O)N2CCN(Cc3nc(-c4ccc(Cl)cc4)cs3)CC2)c1.
What is the InChIKey of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is UMOIPUUGQSJITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2S/c1-29-19-4-2-3-18(13-19)24-22(28)27-11-9-26(10-12-27)14-21-25-20(15-30-21)16-5-7-17(23)8-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,24,28).
What are the key properties of 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide?
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 442.97 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 30464115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).