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

C16H13F3N4OS — CID 2525034

IUPACN-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2csc(-n3nccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C16H13F3N4OS/c1-2-14(24)21-11-5-3-10(4-6-11)12-9-25-15(22-12)23-13(7-8-20-23)16(17,18)19/h3-9H,2H2,1H3,(H,21,24)
InChIKeyLGXIAYGBCAGJQG-UHFFFAOYSA-N
MW366.37 g/mol
LogP4.36
Rot. Bonds4

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

N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide (PubChem CID 2525034) has the molecular formula C16H13F3N4OS and a molecular weight of 366.37 g/mol. Its IUPAC name is N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide
PubChem CID2525034
Molecular FormulaC16H13F3N4OS
Molecular Weight366.37 g/mol
Exact Mass366.08
IUPAC NameN-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2csc(-n3nccc3C(F)(F)F)n2)cc1
InChIInChI=1S/C16H13F3N4OS/c1-2-14(24)21-11-5-3-10(4-6-11)12-9-25-15(22-12)23-13(7-8-20-23)16(17,18)19/h3-9H,2H2,1H3,(H,21,24)
InChIKeyLGXIAYGBCAGJQG-UHFFFAOYSA-N
XLogP4.36
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]propanamide
CID 896768
N-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]phenyl]propanamide
CID 156772101
4-(1,3-benzodioxol-5-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 4875332
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 2525060
N-[4-[2-[cyclohexyl(methyl)amino]-1,3-thiazol-4-yl]phenyl]propanamide
CID 810324
3-methyl-N-[4-[4-(propanoylamino)phenyl]-1,3-thiazol-2-yl]butanamide
CID 17444226
N-[4-(2-anilino-1,3-thiazol-4-yl)phenyl]propanamide;hydrochloride
CID 42914899
N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)methyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 9422708
N-[4-[2-[4-(dimethylamino)phenyl]-1,3-thiazol-4-yl]phenyl]propanamide
CID 9173882
3,3-dimethyl-N-[4-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)phenyl]butanamide
CID 810333
3-bromo-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 108727345
2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide
CID 53045303

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide?
The IUPAC name of N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide (CID 2525034) is N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide.
What is the SMILES notation for N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide?
The canonical SMILES for N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide is CCC(=O)Nc1ccc(-c2csc(-n3nccc3C(F)(F)F)n2)cc1.
What is the InChIKey of N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide?
The InChIKey is LGXIAYGBCAGJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4OS/c1-2-14(24)21-11-5-3-10(4-6-11)12-9-25-15(22-12)23-13(7-8-20-23)16(17,18)19/h3-9H,2H2,1H3,(H,21,24).
What are the key properties of N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide?
N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide has a molecular weight of 366.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazol-4-yl]phenyl]propanamide is sourced from PubChem (CID 2525034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).