2-(2-methyl-5-propan-2-ylphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide

C23H27N3O2S — CID 56519526

IUPAC2-(2-methyl-5-propan-2-ylphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)NCCCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C23H27N3O2S/c1-16(2)19-7-6-17(3)21(13-19)28-14-22(27)25-10-4-5-23-26-20(15-29-23)18-8-11-24-12-9-18/h6-9,11-13,15-16H,4-5,10,14H2,1-3H3,(H,25,27)
InChIKeyJMFSYOWBNBKQET-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.76
Rot. Bonds9

About 2-(2-methyl-5-propan-2-ylphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide

2-(2-methyl-5-propan-2-ylphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide (PubChem CID 56519526) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 2-(2-methyl-5-propan-2-ylphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-5-propan-2-ylphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide
PubChem CID56519526
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC Name2-(2-methyl-5-propan-2-ylphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide
SMILESCc1ccc(C(C)C)cc1OCC(=O)NCCCc1nc(-c2ccncc2)cs1
InChIInChI=1S/C23H27N3O2S/c1-16(2)19-7-6-17(3)21(13-19)28-14-22(27)25-10-4-5-23-26-20(15-29-23)18-8-11-24-12-9-18/h6-9,11-13,15-16H,4-5,10,14H2,1-3H3,(H,25,27)
InChIKeyJMFSYOWBNBKQET-UHFFFAOYSA-N
XLogP4.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-5-propan-2-yl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]benzamide
CID 56519770
N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]-3-[4-(trifluoromethyl)phenyl]butanamide
CID 56520412
2-(methylamino)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide;hydrochloride
CID 120704270
2-(2-methyl-5-propan-2-ylphenoxy)-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]acetamide
CID 3483878
3-amino-3-phenyl-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]propanamide;dihydrochloride
CID 119953650
4-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119875531
1-(3-chloro-4-methylphenyl)-3-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]urea
CID 56549783
N-(2-cyanoethyl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 78909836
1-amino-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 119875480
N-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]pentanamide
CID 110317749
2-(2-methyl-5-propan-2-ylphenoxy)-N-propan-2-ylacetamide
CID 78906214
N-propyl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110647210

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide?
The IUPAC name of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide (CID 56519526) is 2-(2-methyl-5-propan-2-ylphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide.
What is the SMILES notation for 2-(2-methyl-5-propan-2-ylphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide?
The canonical SMILES for 2-(2-methyl-5-propan-2-ylphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide is Cc1ccc(C(C)C)cc1OCC(=O)NCCCc1nc(-c2ccncc2)cs1.
What is the InChIKey of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide?
The InChIKey is JMFSYOWBNBKQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-16(2)19-7-6-17(3)21(13-19)28-14-22(27)25-10-4-5-23-26-20(15-29-23)18-8-11-24-12-9-18/h6-9,11-13,15-16H,4-5,10,14H2,1-3H3,(H,25,27).
What are the key properties of 2-(2-methyl-5-propan-2-ylphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide?
2-(2-methyl-5-propan-2-ylphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide has a molecular weight of 409.56 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-propan-2-ylphenoxy)-N-[3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propyl]acetamide is sourced from PubChem (CID 56519526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).