2,2-dimethyl-N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide

C18H17F3N4OS — CID 4788851

IUPAC2,2-dimethyl-N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2csc(-n3nccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C18H17F3N4OS/c1-17(2,3)15(26)23-12-6-4-11(5-7-12)13-10-27-16(24-13)25-14(8-9-22-25)18(19,20)21/h4-10H,1-3H3,(H,23,26)
InChIKeyJTIQAQYPAKULFM-UHFFFAOYSA-N
MW394.42 g/mol
LogP5.00
Rot. Bonds3

About 2,2-dimethyl-N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide

2,2-dimethyl-N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide (PubChem CID 4788851) has the molecular formula C18H17F3N4OS and a molecular weight of 394.42 g/mol. Its IUPAC name is 2,2-dimethyl-N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide
PubChem CID4788851
Molecular FormulaC18H17F3N4OS
Molecular Weight394.42 g/mol
Exact Mass394.11
IUPAC Name2,2-dimethyl-N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1ccc(-c2csc(-n3nccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C18H17F3N4OS/c1-17(2,3)15(26)23-12-6-4-11(5-7-12)13-10-27-16(24-13)25-14(8-9-22-25)18(19,20)21/h4-10H,1-3H3,(H,23,26)
InChIKeyJTIQAQYPAKULFM-UHFFFAOYSA-N
XLogP5.00
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide (CID 4788851) is 2,2-dimethyl-N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide is CC(C)(C)C(=O)Nc1ccc(-c2csc(-n3nccc3C(F)(F)F)n2)cc1.
What is the InChIKey of 2,2-dimethyl-N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide?
The InChIKey is JTIQAQYPAKULFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4OS/c1-17(2,3)15(26)23-12-6-4-11(5-7-12)13-10-27-16(24-13)25-14(8-9-22-25)18(19,20)21/h4-10H,1-3H3,(H,23,26).
What are the key properties of 2,2-dimethyl-N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide?
2,2-dimethyl-N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide has a molecular weight of 394.42 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide is sourced from PubChem (CID 4788851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).