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

C22H23ClN4O2S — CID 30464150

IUPACN-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
SMILESCOc1ccc(-c2csc(CN3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)n2)cc1
InChIInChI=1S/C22H23ClN4O2S/c1-29-19-8-2-16(3-9-19)20-15-30-21(25-20)14-26-10-12-27(13-11-26)22(28)24-18-6-4-17(23)5-7-18/h2-9,15H,10-14H2,1H3,(H,24,28)
InChIKeyINKIRSNKKLOZDI-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.82
Rot. Bonds5

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

N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide (PubChem CID 30464150) has the molecular formula C22H23ClN4O2S and a molecular weight of 442.97 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
PubChem CID30464150
Molecular FormulaC22H23ClN4O2S
Molecular Weight442.97 g/mol
Exact Mass442.12
IUPAC NameN-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
SMILESCOc1ccc(-c2csc(CN3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)n2)cc1
InChIInChI=1S/C22H23ClN4O2S/c1-29-19-8-2-16(3-9-19)20-15-30-21(25-20)14-26-10-12-27(13-11-26)22(28)24-18-6-4-17(23)5-7-18/h2-9,15H,10-14H2,1H3,(H,24,28)
InChIKeyINKIRSNKKLOZDI-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

4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 30464115
N-(4-fluorophenyl)-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30463998
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
2-[[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463647
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide
CID 30464073
N-(3,4-dimethylphenyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463955
4-(4-methoxyphenyl)-2-(piperidin-1-ylmethyl)-1,3-thiazole
CID 84570130
2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-4-(4-methoxyphenyl)-1,3-thiazole
CID 30463638
2-cyclohexyl-1-[4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone;hydrochloride
CID 71780229
N-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30868820
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 3223742
N-(5-chloro-2-methoxyphenyl)-2-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 30486227

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide (CID 30464150) is N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide is COc1ccc(-c2csc(CN3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)n2)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
The InChIKey is INKIRSNKKLOZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2S/c1-29-19-8-2-16(3-9-19)20-15-30-21(25-20)14-26-10-12-27(13-11-26)22(28)24-18-6-4-17(23)5-7-18/h2-9,15H,10-14H2,1H3,(H,24,28).
What are the key properties of N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide?
N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]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 N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 30464150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).