4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide

C24H28N4O3S — CID 60551018

IUPAC4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(OC)c(CN2CCN(C(=O)NCc3nc(-c4ccccc4)cs3)CC2)c1
InChIInChI=1S/C24H28N4O3S/c1-30-20-8-9-22(31-2)19(14-20)16-27-10-12-28(13-11-27)24(29)25-15-23-26-21(17-32-23)18-6-4-3-5-7-18/h3-9,14,17H,10-13,15-16H2,1-2H3,(H,25,29)
InChIKeyCNQYDFWLJIQAGT-UHFFFAOYSA-N
MW452.58 g/mol
LogP3.85
Rot. Bonds7

About 4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide

4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 60551018) has the molecular formula C24H28N4O3S and a molecular weight of 452.58 g/mol. Its IUPAC name is 4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
PubChem CID60551018
Molecular FormulaC24H28N4O3S
Molecular Weight452.58 g/mol
Exact Mass452.19
IUPAC Name4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(OC)c(CN2CCN(C(=O)NCc3nc(-c4ccccc4)cs3)CC2)c1
InChIInChI=1S/C24H28N4O3S/c1-30-20-8-9-22(31-2)19(14-20)16-27-10-12-28(13-11-27)24(29)25-15-23-26-21(17-32-23)18-6-4-3-5-7-18/h3-9,14,17H,10-13,15-16H2,1-2H3,(H,25,29)
InChIKeyCNQYDFWLJIQAGT-UHFFFAOYSA-N
XLogP3.85
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.58
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463976
N-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30868820
2,4-dimethoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663365
N-[(3,4-dimethoxyphenyl)methyl]-4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464059
N-[(5-bromothiophen-2-yl)methyl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 112817787
N-benzhydryl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464237
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-phenylphenyl)methanone
CID 37280250
4-[(2,5-dimethoxyphenyl)methyl]-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]piperazine-1-carboxamide
CID 78874889
N-(3,4-dimethylphenyl)-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463955
N-tert-butyl-4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 30463914
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 30464115
N-(4-chlorophenyl)-4-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30464150

Frequently Asked Questions

What is the IUPAC name of 4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide (CID 60551018) is 4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide is COc1ccc(OC)c(CN2CCN(C(=O)NCc3nc(-c4ccccc4)cs3)CC2)c1.
What is the InChIKey of 4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is CNQYDFWLJIQAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3S/c1-30-20-8-9-22(31-2)19(14-20)16-27-10-12-28(13-11-27)24(29)25-15-23-26-21(17-32-23)18-6-4-3-5-7-18/h3-9,14,17H,10-13,15-16H2,1-2H3,(H,25,29).
What are the key properties of 4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 452.58 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 60551018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).