2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide

C18H17N3O3S — CID 4800365

IUPAC2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3cccnc3)cs2)cc1OC
InChIInChI=1S/C18H17N3O3S/c1-23-15-6-5-12(8-16(15)24-2)9-17(22)21-18-20-14(11-25-18)13-4-3-7-19-10-13/h3-8,10-11H,9H2,1-2H3,(H,20,21,22)
InChIKeyLVOYCQFQNVCTEX-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.40
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide

2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 4800365) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
PubChem CID4800365
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESCOc1ccc(CC(=O)Nc2nc(-c3cccnc3)cs2)cc1OC
InChIInChI=1S/C18H17N3O3S/c1-23-15-6-5-12(8-16(15)24-2)9-17(22)21-18-20-14(11-25-18)13-4-3-7-19-10-13/h3-8,10-11H,9H2,1-2H3,(H,20,21,22)
InChIKeyLVOYCQFQNVCTEX-UHFFFAOYSA-N
XLogP3.40
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7831958
[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2342605
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)acetamide
CID 2550621
1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)urea
CID 78875128
2-(3,4-dimethoxyphenyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 7920230
N-(4-phenyl-1,3-thiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2598512
3-(3,4-dimethoxyphenyl)-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]propanamide
CID 19220711
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methoxyphenyl)acetamide
CID 42994615
2-(3,4-diethoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 71713490
2-(2,4-dimethylphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 18581453
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(3,4-dimethoxyphenyl)acetamide
CID 32865339
3-(3,4-dimethoxyphenyl)-N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 32622827

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (CID 4800365) is 2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is COc1ccc(CC(=O)Nc2nc(-c3cccnc3)cs2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is LVOYCQFQNVCTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-23-15-6-5-12(8-16(15)24-2)9-17(22)21-18-20-14(11-25-18)13-4-3-7-19-10-13/h3-8,10-11H,9H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 355.42 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 4800365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).