2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide

C19H18N4O2S — CID 108749070

IUPAC2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCc2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C19H18N4O2S/c1-13(24)22-16-6-4-14(5-7-16)9-18(25)21-11-17-12-26-19(23-17)15-3-2-8-20-10-15/h2-8,10,12H,9,11H2,1H3,(H,21,25)(H,22,24)
InChIKeyWGHYINUUXGZGOM-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.02
Rot. Bonds6

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

2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 108749070) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID108749070
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC Name2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NCc2csc(-c3cccnc3)n2)cc1
InChIInChI=1S/C19H18N4O2S/c1-13(24)22-16-6-4-14(5-7-16)9-18(25)21-11-17-12-26-19(23-17)15-3-2-8-20-10-15/h2-8,10,12H,9,11H2,1H3,(H,21,25)(H,22,24)
InChIKeyWGHYINUUXGZGOM-UHFFFAOYSA-N
XLogP3.02
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 110342205
2-(4-bromophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108749094
N-[(4-acetamidophenyl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 18153830
N-(pyridin-3-ylmethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084438
N-(2-acetamidoethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 39084427
N-(3-acetamidophenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 51204752
N-(4-butylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 78811718
2-(4-acetamidophenyl)-N-[(6-pyridin-3-yl-3-pyridinyl)methyl]acetamide
CID 91816099
2-(4-methoxyphenyl)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 7119160
N-[2-(methylamino)ethyl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 119502386
2-(4-propylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770974
N-(3,4-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191701

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 108749070) is 2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide is CC(=O)Nc1ccc(CC(=O)NCc2csc(-c3cccnc3)n2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is WGHYINUUXGZGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-13(24)22-16-6-4-14(5-7-16)9-18(25)21-11-17-12-26-19(23-17)15-3-2-8-20-10-15/h2-8,10,12H,9,11H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 366.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 108749070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).