N-[3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide

C27H32N4O3S — CID 46558159

IUPACN-[3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(-c2nc(CN3CCN(C(=O)c4cccc(NC(=O)C(C)(C)C)c4)CC3)cs2)cc1
InChIInChI=1S/C27H32N4O3S/c1-27(2,3)26(33)29-21-7-5-6-20(16-21)25(32)31-14-12-30(13-15-31)17-22-18-35-24(28-22)19-8-10-23(34-4)11-9-19/h5-11,16,18H,12-15,17H2,1-4H3,(H,29,33)
InChIKeySOMLATFBEYPJBY-UHFFFAOYSA-N
MW492.65 g/mol
LogP4.76
Rot. Bonds6

About N-[3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide

N-[3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 46558159) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is N-[3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
PubChem CID46558159
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC NameN-[3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc(-c2nc(CN3CCN(C(=O)c4cccc(NC(=O)C(C)(C)C)c4)CC3)cs2)cc1
InChIInChI=1S/C27H32N4O3S/c1-27(2,3)26(33)29-21-7-5-6-20(16-21)25(32)31-14-12-30(13-15-31)17-22-18-35-24(28-22)19-8-10-23(34-4)11-9-19/h5-11,16,18H,12-15,17H2,1-4H3,(H,29,33)
InChIKeySOMLATFBEYPJBY-UHFFFAOYSA-N
XLogP4.76
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

(3-methoxy-4-methylphenyl)-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 46577232
1-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 26552668
(3,4-dimethoxyphenyl)-[4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 55543399
(3,4-dimethoxyphenyl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30463113
1,3-benzodioxol-4-yl-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 55820327
N-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
CID 99179828
2,2-dimethyl-N-[3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]propanamide
CID 30535421
(3-methoxyphenyl)-[4-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]methanone
CID 38047053
[3-(dimethylamino)phenyl]-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30086319
N-[3-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide
CID 30476118
[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 71780646
4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 38132380

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide (CID 46558159) is N-[3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide is COc1ccc(-c2nc(CN3CCN(C(=O)c4cccc(NC(=O)C(C)(C)C)c4)CC3)cs2)cc1.
What is the InChIKey of N-[3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is SOMLATFBEYPJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-27(2,3)26(33)29-21-7-5-6-20(16-21)25(32)31-14-12-30(13-15-31)17-22-18-35-24(28-22)19-8-10-23(34-4)11-9-19/h5-11,16,18H,12-15,17H2,1-4H3,(H,29,33).
What are the key properties of N-[3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide?
N-[3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 492.65 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carbonyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 46558159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).