N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

C15H13F3N2O2S — CID 46535713

IUPACN-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)C1CC1
InChIInChI=1S/C15H13F3N2O2S/c16-15(17,18)22-11-5-1-9(2-6-11)7-12-8-19-14(23-12)20-13(21)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H,19,20,21)
InChIKeyXWQMMZLVYQWHTG-UHFFFAOYSA-N
MW342.34 g/mol
LogP3.98
Rot. Bonds5

About N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide

N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (PubChem CID 46535713) has the molecular formula C15H13F3N2O2S and a molecular weight of 342.34 g/mol. Its IUPAC name is N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
PubChem CID46535713
Molecular FormulaC15H13F3N2O2S
Molecular Weight342.34 g/mol
Exact Mass342.06
IUPAC NameN-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)C1CC1
InChIInChI=1S/C15H13F3N2O2S/c16-15(17,18)22-11-5-1-9(2-6-11)7-12-8-19-14(23-12)20-13(21)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H,19,20,21)
InChIKeyXWQMMZLVYQWHTG-UHFFFAOYSA-N
XLogP3.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.34
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]oxane-4-carboxamide
CID 30684704
2-(4-methoxyphenyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 46535725
2-(2-methoxyethoxy)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 43047806
1-(thiophene-2-carbonyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]piperidine-3-carboxamide
CID 46559190
2,4-difluoro-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 46535749
4-(acetamidomethyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 46535692
N-[3-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 46540899
4-(2-acetamidoethyl)-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 30685595
(3S)-2-phenyl-5-N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 25473080
2-(cyclopropylmethylamino)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
CID 119702595
N-[1-oxo-1-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]amino]propan-2-yl]furan-2-carboxamide
CID 42942421
1-acetyl-N-(5-benzyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 18130138

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide (CID 46535713) is N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is O=C(Nc1ncc(Cc2ccc(OC(F)(F)F)cc2)s1)C1CC1.
What is the InChIKey of N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
The InChIKey is XWQMMZLVYQWHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2S/c16-15(17,18)22-11-5-1-9(2-6-11)7-12-8-19-14(23-12)20-13(21)10-3-4-10/h1-2,5-6,8,10H,3-4,7H2,(H,19,20,21).
What are the key properties of N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide?
N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide has a molecular weight of 342.34 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 46535713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).