N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine

C18H12F6N2OS — CID 58911029

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(-c2csc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C18H12F6N2OS/c1-27-14-4-2-3-10(5-14)15-9-28-16(26-15)25-13-7-11(17(19,20)21)6-12(8-13)18(22,23)24/h2-9H,1H3,(H,25,26)
InChIKeyGDFKSKSMGAXRIG-UHFFFAOYSA-N
MW418.36 g/mol
LogP6.60
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine

N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 58911029) has the molecular formula C18H12F6N2OS and a molecular weight of 418.36 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
PubChem CID58911029
Molecular FormulaC18H12F6N2OS
Molecular Weight418.36 g/mol
Exact Mass418.06
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cccc(-c2csc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1
InChIInChI=1S/C18H12F6N2OS/c1-27-14-4-2-3-10(5-14)15-9-28-16(26-15)25-13-7-11(17(19,20)21)6-12(8-13)18(22,23)24/h2-9H,1H3,(H,25,26)
InChIKeyGDFKSKSMGAXRIG-UHFFFAOYSA-N
XLogP6.60
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.36
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine (CID 58911029) is N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine is COc1cccc(-c2csc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is GDFKSKSMGAXRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F6N2OS/c1-27-14-4-2-3-10(5-14)15-9-28-16(26-15)25-13-7-11(17(19,20)21)6-12(8-13)18(22,23)24/h2-9H,1H3,(H,25,26).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine?
N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 418.36 g/mol, XLogP of 6.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-4-(3-methoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 58911029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).