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

C20H22N4O3S — CID 75457162

IUPACN-(3,4-dimethoxyphenyl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]acetamide
SMILESCOc1ccc(NC(=O)CNC(C)c2nc(-c3cccnc3)cs2)cc1OC
InChIInChI=1S/C20H22N4O3S/c1-13(20-24-16(12-28-20)14-5-4-8-21-10-14)22-11-19(25)23-15-6-7-17(26-2)18(9-15)27-3/h4-10,12-13,22H,11H2,1-3H3,(H,23,25)
InChIKeyVXXLDCCDYJLBQL-UHFFFAOYSA-N
MW398.49 g/mol
LogP3.51
Rot. Bonds8

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

N-(3,4-dimethoxyphenyl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]acetamide (PubChem CID 75457162) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]acetamide
PubChem CID75457162
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]acetamide
SMILESCOc1ccc(NC(=O)CNC(C)c2nc(-c3cccnc3)cs2)cc1OC
InChIInChI=1S/C20H22N4O3S/c1-13(20-24-16(12-28-20)14-5-4-8-21-10-14)22-11-19(25)23-15-6-7-17(26-2)18(9-15)27-3/h4-10,12-13,22H,11H2,1-3H3,(H,23,25)
InChIKeyVXXLDCCDYJLBQL-UHFFFAOYSA-N
XLogP3.51
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 4800365
1-(1,3-dihydroisoindol-2-yl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]ethanone
CID 166293905
N-(4-ethoxy-3-methoxyphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78810478
(E)-3-(4-butoxy-3-methoxyphenyl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]prop-2-enamide
CID 86936041
N-(3,4-dimethylphenyl)-3-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110649722
2-[1-(2-chlorophenyl)ethylamino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 17422913
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 40880412
(2S)-N-(3,4-dimethoxyphenyl)-2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]sulfanyl]propanamide
CID 8943365
N-(3-chloro-4-methoxyphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110329941
(2R)-N-(3,4-dimethoxyphenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25360250
(2S)-N-(3,4-dimethoxyphenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25360251
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782633

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]acetamide (CID 75457162) is N-(3,4-dimethoxyphenyl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]acetamide is COc1ccc(NC(=O)CNC(C)c2nc(-c3cccnc3)cs2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]acetamide?
The InChIKey is VXXLDCCDYJLBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-13(20-24-16(12-28-20)14-5-4-8-21-10-14)22-11-19(25)23-15-6-7-17(26-2)18(9-15)27-3/h4-10,12-13,22H,11H2,1-3H3,(H,23,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]acetamide?
N-(3,4-dimethoxyphenyl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]acetamide has a molecular weight of 398.49 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethylamino]acetamide is sourced from PubChem (CID 75457162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).