N-[1-(2-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-amine

C15H10F4N4OS — CID 172734982

IUPACN-[1-(2-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-amine
SMILESFc1ccccc1C1(Nc2ncc(-c3noc(C(F)(F)F)n3)s2)CC1
InChIInChI=1S/C15H10F4N4OS/c16-9-4-2-1-3-8(9)14(5-6-14)22-13-20-7-10(25-13)11-21-12(24-23-11)15(17,18)19/h1-4,7H,5-6H2,(H,20,22)
InChIKeyIHRBMRQTPTZVMW-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.45
Rot. Bonds4

About N-[1-(2-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-amine

N-[1-(2-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-amine (PubChem CID 172734982) has the molecular formula C15H10F4N4OS and a molecular weight of 370.33 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-amine
PubChem CID172734982
Molecular FormulaC15H10F4N4OS
Molecular Weight370.33 g/mol
Exact Mass370.05
IUPAC NameN-[1-(2-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-amine
SMILESFc1ccccc1C1(Nc2ncc(-c3noc(C(F)(F)F)n3)s2)CC1
InChIInChI=1S/C15H10F4N4OS/c16-9-4-2-1-3-8(9)14(5-6-14)22-13-20-7-10(25-13)11-21-12(24-23-11)15(17,18)19/h1-4,7H,5-6H2,(H,20,22)
InChIKeyIHRBMRQTPTZVMW-UHFFFAOYSA-N
XLogP4.45
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-amine?
The IUPAC name of N-[1-(2-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-amine (CID 172734982) is N-[1-(2-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[1-(2-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[1-(2-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-amine is Fc1ccccc1C1(Nc2ncc(-c3noc(C(F)(F)F)n3)s2)CC1.
What is the InChIKey of N-[1-(2-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-amine?
The InChIKey is IHRBMRQTPTZVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F4N4OS/c16-9-4-2-1-3-8(9)14(5-6-14)22-13-20-7-10(25-13)11-21-12(24-23-11)15(17,18)19/h1-4,7H,5-6H2,(H,20,22).
What are the key properties of N-[1-(2-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-amine?
N-[1-(2-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-amine has a molecular weight of 370.33 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)cyclopropyl]-5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 172734982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).