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

C18H17N3O2S — CID 9361604

IUPAC3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1ccccc1OCCC(=O)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C18H17N3O2S/c1-13-5-2-3-7-16(13)23-10-8-17(22)21-18-20-15(12-24-18)14-6-4-9-19-11-14/h2-7,9,11-12H,8,10H2,1H3,(H,20,21,22)
InChIKeyQEQXYFUYSOVHLM-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.92
Rot. Bonds6

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

3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (PubChem CID 9361604) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
PubChem CID9361604
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
SMILESCc1ccccc1OCCC(=O)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C18H17N3O2S/c1-13-5-2-3-7-16(13)23-10-8-17(22)21-18-20-15(12-24-18)14-6-4-9-19-11-14/h2-7,9,11-12H,8,10H2,1H3,(H,20,21,22)
InChIKeyQEQXYFUYSOVHLM-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenoxy-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 110441097
2-(2-ethylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 2539487
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-3-(2-methylphenoxy)propanamide
CID 8873260
3-phenyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 4801066
4-amino-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)butanamide
CID 110460819
4-(2-methylphenoxy)-N-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]butanamide
CID 19228141
4-(2,6-dimethylphenoxy)-N-(4-phenyl-1,3-thiazol-2-yl)butanamide
CID 108769761
2-(2,4-dimethylphenyl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
CID 18581453
2-(2-methylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7918619
4-(2-aminophenoxy)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]butanamide
CID 84560731
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-methylphenoxy)acetamide
CID 19173189
3-(4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide
CID 135933507

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide (CID 9361604) is 3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is Cc1ccccc1OCCC(=O)Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
The InChIKey is QEQXYFUYSOVHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-13-5-2-3-7-16(13)23-10-8-17(22)21-18-20-15(12-24-18)14-6-4-9-19-11-14/h2-7,9,11-12H,8,10H2,1H3,(H,20,21,22).
What are the key properties of 3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide?
3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide has a molecular weight of 339.42 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 9361604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).