3-(4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide

C18H17N3O2S — CID 4202110

IUPAC3-(4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-15-5-2-13(3-6-15)4-7-17(22)21-18-20-16(12-24-18)14-8-10-19-11-9-14/h2-3,5-6,8-12H,4,7H2,1H3,(H,20,21,22)
InChIKeyAERKCVDBSGMNBU-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.79
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide

3-(4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 4202110) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
PubChem CID4202110
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name3-(4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2nc(-c3ccncc3)cs2)cc1
InChIInChI=1S/C18H17N3O2S/c1-23-15-5-2-13(3-6-15)4-7-17(22)21-18-20-16(12-24-18)14-8-10-19-11-9-14/h2-3,5-6,8-12H,4,7H2,1H3,(H,20,21,22)
InChIKeyAERKCVDBSGMNBU-UHFFFAOYSA-N
XLogP3.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide (CID 4202110) is 3-(4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide is COc1ccc(CCC(=O)Nc2nc(-c3ccncc3)cs2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is AERKCVDBSGMNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-23-15-5-2-13(3-6-15)4-7-17(22)21-18-20-16(12-24-18)14-8-10-19-11-9-14/h2-3,5-6,8-12H,4,7H2,1H3,(H,20,21,22).
What are the key properties of 3-(4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide?
3-(4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 339.42 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4202110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).