N-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide

C25H28N4O3S — CID 27860198

IUPACN-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)c3cccc(OCc4cscn4)c3)CC2)c1C
InChIInChI=1S/C25H28N4O3S/c1-18-5-3-8-23(19(18)2)27-24(30)14-28-9-11-29(12-10-28)25(31)20-6-4-7-22(13-20)32-15-21-16-33-17-26-21/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H,27,30)
InChIKeyBOESJFPOVOBXAY-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.74
Rot. Bonds7

About N-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide

N-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide (PubChem CID 27860198) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
PubChem CID27860198
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC NameN-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
SMILESCc1cccc(NC(=O)CN2CCN(C(=O)c3cccc(OCc4cscn4)c3)CC2)c1C
InChIInChI=1S/C25H28N4O3S/c1-18-5-3-8-23(19(18)2)27-24(30)14-28-9-11-29(12-10-28)25(31)20-6-4-7-22(13-20)32-15-21-16-33-17-26-21/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H,27,30)
InChIKeyBOESJFPOVOBXAY-UHFFFAOYSA-N
XLogP3.74
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 134041483
[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 86905301
N-(2,3-dimethylphenyl)-2-[4-(4-ethylbenzoyl)piperazin-1-yl]acetamide
CID 27859906
[4-(4-chlorophenyl)piperazin-1-yl]-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 55970553
(4-methoxyphenyl)-[1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
CID 25475563
2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021429
(3R)-3-methyl-1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 124695731
3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
CID 55915816
2-[4-(4-amino-3-nitrobenzoyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 27859814
2-[4-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carbonyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 30396646
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-2-[4-(1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carbonyl)piperazin-1-yl]acetamide
CID 26372619

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide (CID 27860198) is N-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide is Cc1cccc(NC(=O)CN2CCN(C(=O)c3cccc(OCc4cscn4)c3)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide?
The InChIKey is BOESJFPOVOBXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-18-5-3-8-23(19(18)2)27-24(30)14-28-9-11-29(12-10-28)25(31)20-6-4-7-22(13-20)32-15-21-16-33-17-26-21/h3-8,13,16-17H,9-12,14-15H2,1-2H3,(H,27,30).
What are the key properties of N-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide?
N-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide has a molecular weight of 464.59 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 27860198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).