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

C17H14ClN3O2S — CID 2463651

IUPAC2-(4-chloro-2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C17H14ClN3O2S/c1-11-7-13(18)4-5-15(11)23-9-16(22)21-17-20-14(10-24-17)12-3-2-6-19-8-12/h2-8,10H,9H2,1H3,(H,20,21,22)
InChIKeyXOIRCIIHKAZLCY-UHFFFAOYSA-N
MW359.84 g/mol
LogP4.18
Rot. Bonds5

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

2-(4-chloro-2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (PubChem CID 2463651) has the molecular formula C17H14ClN3O2S and a molecular weight of 359.84 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
PubChem CID2463651
Molecular FormulaC17H14ClN3O2S
Molecular Weight359.84 g/mol
Exact Mass359.05
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2cccnc2)cs1
InChIInChI=1S/C17H14ClN3O2S/c1-11-7-13(18)4-5-15(11)23-9-16(22)21-17-20-14(10-24-17)12-3-2-6-19-8-12/h2-8,10H,9H2,1H3,(H,20,21,22)
InChIKeyXOIRCIIHKAZLCY-UHFFFAOYSA-N
XLogP4.18
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.84
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide (CID 2463651) is 2-(4-chloro-2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2cccnc2)cs1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
The InChIKey is XOIRCIIHKAZLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O2S/c1-11-7-13(18)4-5-15(11)23-9-16(22)21-17-20-14(10-24-17)12-3-2-6-19-8-12/h2-8,10H,9H2,1H3,(H,20,21,22).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide has a molecular weight of 359.84 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2463651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).