N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide

C22H24N4O2S — CID 53161069

IUPACN-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(N2CCN(c3nc(C(=O)NCc4ccccc4)cs3)CC2)c1
InChIInChI=1S/C22H24N4O2S/c1-28-19-9-5-8-18(14-19)25-10-12-26(13-11-25)22-24-20(16-29-22)21(27)23-15-17-6-3-2-4-7-17/h2-9,14,16H,10-13,15H2,1H3,(H,23,27)
InChIKeyCRGAONDKAWWRFS-UHFFFAOYSA-N
MW408.53 g/mol
LogP3.41
Rot. Bonds6

About N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide

N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 53161069) has the molecular formula C22H24N4O2S and a molecular weight of 408.53 g/mol. Its IUPAC name is N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID53161069
Molecular FormulaC22H24N4O2S
Molecular Weight408.53 g/mol
Exact Mass408.16
IUPAC NameN-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(N2CCN(c3nc(C(=O)NCc4ccccc4)cs3)CC2)c1
InChIInChI=1S/C22H24N4O2S/c1-28-19-9-5-8-18(14-19)25-10-12-26(13-11-25)22-24-20(16-29-22)21(27)23-15-17-6-3-2-4-7-17/h2-9,14,16H,10-13,15H2,1H3,(H,23,27)
InChIKeyCRGAONDKAWWRFS-UHFFFAOYSA-N
XLogP3.41
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-fluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 71840393
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 53161077
N-(furan-2-ylmethyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 71830078
N-[(4-fluorophenyl)methyl]-2-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161039
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 71840362
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 71840401
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 71840357
2-(4-phenylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 53200928
N-[(4-chlorophenyl)methyl]-2-[4-(4-chlorophenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 53161103
N-(furan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)-1,3-thiazole-4-carboxamide
CID 71840415
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 53161135
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 53200939

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide (CID 53161069) is N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide is COc1cccc(N2CCN(c3nc(C(=O)NCc4ccccc4)cs3)CC2)c1.
What is the InChIKey of N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is CRGAONDKAWWRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S/c1-28-19-9-5-8-18(14-19)25-10-12-26(13-11-25)22-24-20(16-29-22)21(27)23-15-17-6-3-2-4-7-17/h2-9,14,16H,10-13,15H2,1H3,(H,23,27).
What are the key properties of N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide?
N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 408.53 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53161069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).