4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-N-(3,3,3-trifluoropropyl)benzamide

C17H19F3N2OS — CID 73425575

IUPAC4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-N-(3,3,3-trifluoropropyl)benzamide
SMILESCC(C)Cc1nc(-c2ccc(C(=O)NCCC(F)(F)F)cc2)cs1
InChIInChI=1S/C17H19F3N2OS/c1-11(2)9-15-22-14(10-24-15)12-3-5-13(6-4-12)16(23)21-8-7-17(18,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,21,23)
InChIKeyUBQMCDSKFNKYKI-UHFFFAOYSA-N
MW356.41 g/mol
LogP4.69
Rot. Bonds6

About 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-N-(3,3,3-trifluoropropyl)benzamide

4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 73425575) has the molecular formula C17H19F3N2OS and a molecular weight of 356.41 g/mol. Its IUPAC name is 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound Name4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID73425575
Molecular FormulaC17H19F3N2OS
Molecular Weight356.41 g/mol
Exact Mass356.12
IUPAC Name4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-N-(3,3,3-trifluoropropyl)benzamide
SMILESCC(C)Cc1nc(-c2ccc(C(=O)NCCC(F)(F)F)cc2)cs1
InChIInChI=1S/C17H19F3N2OS/c1-11(2)9-15-22-14(10-24-15)12-3-5-13(6-4-12)16(23)21-8-7-17(18,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,21,23)
InChIKeyUBQMCDSKFNKYKI-UHFFFAOYSA-N
XLogP4.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-N-(3,3,3-trifluoropropyl)benzamide (CID 73425575) is 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-N-(3,3,3-trifluoropropyl)benzamide is CC(C)Cc1nc(-c2ccc(C(=O)NCCC(F)(F)F)cc2)cs1.
What is the InChIKey of 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is UBQMCDSKFNKYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2OS/c1-11(2)9-15-22-14(10-24-15)12-3-5-13(6-4-12)16(23)21-8-7-17(18,19)20/h3-6,10-11H,7-9H2,1-2H3,(H,21,23).
What are the key properties of 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-N-(3,3,3-trifluoropropyl)benzamide?
4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 356.41 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methylpropyl)-1,3-thiazol-4-yl]-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 73425575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).