2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide

C18H17N3O2S — CID 24829746

IUPAC2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2nc(-c3ccnc(C)c3)cs2)c1
InChIInChI=1S/C18H17N3O2S/c1-12-8-14(6-7-19-12)16-11-24-18(20-16)21-17(22)10-13-4-3-5-15(9-13)23-2/h3-9,11H,10H2,1-2H3,(H,20,21,22)
InChIKeyCXDDGXVAUWXVAV-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.70
Rot. Bonds5

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

2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 24829746) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
PubChem CID24829746
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1cccc(CC(=O)Nc2nc(-c3ccnc(C)c3)cs2)c1
InChIInChI=1S/C18H17N3O2S/c1-12-8-14(6-7-19-12)16-11-24-18(20-16)21-17(22)10-13-4-3-5-15(9-13)23-2/h3-9,11H,10H2,1-2H3,(H,20,21,22)
InChIKeyCXDDGXVAUWXVAV-UHFFFAOYSA-N
XLogP3.70
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide (CID 24829746) is 2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide is COc1cccc(CC(=O)Nc2nc(-c3ccnc(C)c3)cs2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CXDDGXVAUWXVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12-8-14(6-7-19-12)16-11-24-18(20-16)21-17(22)10-13-4-3-5-15(9-13)23-2/h3-9,11H,10H2,1-2H3,(H,20,21,22).
What are the key properties of 2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide?
2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 339.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 24829746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).