(2R)-N,N-dimethyl-2-phenyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide

C24H28N4OS — CID 30040356

IUPAC(2R)-N,N-dimethyl-2-phenyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCN(C)C(=O)[C@@H](c1ccccc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H28N4OS/c1-26(2)24(29)22(19-9-5-3-6-10-19)28-15-13-27(14-16-28)17-21-18-30-23(25-21)20-11-7-4-8-12-20/h3-12,18,22H,13-17H2,1-2H3/t22-/m1/s1
InChIKeyRQVAESVDZZPUJL-JOCHJYFZSA-N
MW420.58 g/mol
LogP3.76
Rot. Bonds6

About (2R)-N,N-dimethyl-2-phenyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide

(2R)-N,N-dimethyl-2-phenyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 30040356) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is (2R)-N,N-dimethyl-2-phenyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound Name(2R)-N,N-dimethyl-2-phenyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
PubChem CID30040356
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Name(2R)-N,N-dimethyl-2-phenyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
SMILESCN(C)C(=O)[C@@H](c1ccccc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1
InChIInChI=1S/C24H28N4OS/c1-26(2)24(29)22(19-9-5-3-6-10-19)28-15-13-27(14-16-28)17-21-18-30-23(25-21)20-11-7-4-8-12-20/h3-12,18,22H,13-17H2,1-2H3/t22-/m1/s1
InChIKeyRQVAESVDZZPUJL-JOCHJYFZSA-N
XLogP3.76
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]acetamide
CID 37105671
(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 30740688
2-(methylamino)-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 120703470
2,2-dimethyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 37274617
2-phenyl-4-[[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 60501855
3-amino-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one
CID 119839413
(3-methylthiophen-2-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30214352
3-amino-2-methyl-1-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 120502707
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 134049483
2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 134049519
4-[[4-(2-ethylphenyl)-1,4-diazepan-1-yl]methyl]-2-phenyl-1,3-thiazole
CID 70809613
[3-(dimethylamino)phenyl]-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30086319

Frequently Asked Questions

What is the IUPAC name of (2R)-N,N-dimethyl-2-phenyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of (2R)-N,N-dimethyl-2-phenyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide (CID 30040356) is (2R)-N,N-dimethyl-2-phenyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for (2R)-N,N-dimethyl-2-phenyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for (2R)-N,N-dimethyl-2-phenyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide is CN(C)C(=O)[C@@H](c1ccccc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1.
What is the InChIKey of (2R)-N,N-dimethyl-2-phenyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is RQVAESVDZZPUJL-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-26(2)24(29)22(19-9-5-3-6-10-19)28-15-13-27(14-16-28)17-21-18-30-23(25-21)20-11-7-4-8-12-20/h3-12,18,22H,13-17H2,1-2H3/t22-/m1/s1.
What are the key properties of (2R)-N,N-dimethyl-2-phenyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide?
(2R)-N,N-dimethyl-2-phenyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 420.58 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N,N-dimethyl-2-phenyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30040356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).