2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide

C22H25N3O2S — CID 108770965

IUPAC2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2csc(-c3cccnc3)n2)c(C(C)(C)C)c1
InChIInChI=1S/C22H25N3O2S/c1-15-7-8-19(18(10-15)22(2,3)4)27-13-20(26)24-12-17-14-28-21(25-17)16-6-5-9-23-11-16/h5-11,14H,12-13H2,1-4H3,(H,24,26)
InChIKeyKEKUHIWZMBVLBO-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.51
Rot. Bonds6

About 2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide

2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide (PubChem CID 108770965) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is 2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
PubChem CID108770965
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC Name2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
SMILESCc1ccc(OCC(=O)NCc2csc(-c3cccnc3)n2)c(C(C)(C)C)c1
InChIInChI=1S/C22H25N3O2S/c1-15-7-8-19(18(10-15)22(2,3)4)27-13-20(26)24-12-17-14-28-21(25-17)16-6-5-9-23-11-16/h5-11,14H,12-13H2,1-4H3,(H,24,26)
InChIKeyKEKUHIWZMBVLBO-UHFFFAOYSA-N
XLogP4.51
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-tert-butyl-4-methoxyphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770964
2-(4-methylphenoxy)-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 110285011
2-(4-propylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 108770974
N-(2-methoxy-5-methylphenyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110422461
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 108810268
2-(2,4-difluorophenoxy)-N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]acetamide
CID 121122099
N-(2,5-dimethylphenyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 9191562
N-(2-hydroxy-2-methylpropyl)-3-(2-pyridin-3-yl-1,3-thiazol-4-yl)propanamide
CID 110626848
4-(4-bromo-2-chlorophenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 108770983
N-[2-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]ethyl]-2-phenoxyacetamide
CID 108541189
2-[2-[4-[(2-tert-butyl-4-methylphenoxy)methyl]phenyl]-1,3-thiazol-4-yl]acetate
CID 7745299
N-[3-[[2-(2-tert-butyl-4-methylphenoxy)acetyl]amino]phenyl]pyridine-3-carboxamide
CID 108925179

Frequently Asked Questions

What is the IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide (CID 108770965) is 2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide is Cc1ccc(OCC(=O)NCc2csc(-c3cccnc3)n2)c(C(C)(C)C)c1.
What is the InChIKey of 2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide?
The InChIKey is KEKUHIWZMBVLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-15-7-8-19(18(10-15)22(2,3)4)27-13-20(26)24-12-17-14-28-21(25-17)16-6-5-9-23-11-16/h5-11,14H,12-13H2,1-4H3,(H,24,26).
What are the key properties of 2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide?
2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide has a molecular weight of 395.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-tert-butyl-4-methylphenoxy)-N-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]acetamide is sourced from PubChem (CID 108770965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).