N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide

C21H23FN4O2S — CID 86940675

IUPACN-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)(C)C(COc1ccccc1F)NC(=O)Cc1csc(-c2cnccn2)n1
InChIInChI=1S/C21H23FN4O2S/c1-21(2,3)18(12-28-17-7-5-4-6-15(17)22)26-19(27)10-14-13-29-20(25-14)16-11-23-8-9-24-16/h4-9,11,13,18H,10,12H2,1-3H3,(H,26,27)
InChIKeyWJQYTNRAGPDWHW-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.89
Rot. Bonds7

About N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide

N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 86940675) has the molecular formula C21H23FN4O2S and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID86940675
Molecular FormulaC21H23FN4O2S
Molecular Weight414.51 g/mol
Exact Mass414.15
IUPAC NameN-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)(C)C(COc1ccccc1F)NC(=O)Cc1csc(-c2cnccn2)n1
InChIInChI=1S/C21H23FN4O2S/c1-21(2,3)18(12-28-17-7-5-4-6-15(17)22)26-19(27)10-14-13-29-20(25-14)16-11-23-8-9-24-16/h4-9,11,13,18H,10,12H2,1-3H3,(H,26,27)
InChIKeyWJQYTNRAGPDWHW-UHFFFAOYSA-N
XLogP3.89
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-pyridin-2-yl-1,3-thiazol-4-yl)-N-(1,1,1-trifluoro-3-methylbutan-2-yl)acetamide
CID 126827360
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 86940734
N-[2-[[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]amino]-2-oxoethyl]-4-methylpentanamide
CID 86941025
N-propan-2-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 27648148
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-(furan-2-yl)propanamide
CID 86940639
N-pentan-3-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 17434682
(2R)-3-methyl-2-[[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
CID 39165191
N-(1-hydroxy-3-methylbutan-2-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 91822699
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-3-methoxythiophene-2-carboxamide
CID 86940750
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 131925778
2,2-dichloro-N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]cyclopropane-1-carboxamide
CID 86940721
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutan-2-yl)acetamide
CID 43039088

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide (CID 86940675) is N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide is CC(C)(C)C(COc1ccccc1F)NC(=O)Cc1csc(-c2cnccn2)n1.
What is the InChIKey of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is WJQYTNRAGPDWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2S/c1-21(2,3)18(12-28-17-7-5-4-6-15(17)22)26-19(27)10-14-13-29-20(25-14)16-11-23-8-9-24-16/h4-9,11,13,18H,10,12H2,1-3H3,(H,26,27).
What are the key properties of N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide?
N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 414.51 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenoxy)-3,3-dimethylbutan-2-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 86940675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).