5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine

C19H17F3N2O3S — CID 53387891

IUPAC5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(-c2nc(N)sc2-c2ccc(C(F)(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C19H17F3N2O3S/c1-25-13-8-11(9-14(26-2)16(13)27-3)15-17(28-18(23)24-15)10-4-6-12(7-5-10)19(20,21)22/h4-9H,1-3H3,(H2,23,24)
InChIKeyFZNRMIHAEKLZBO-UHFFFAOYSA-N
MW410.42 g/mol
LogP5.10
Rot. Bonds5

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

5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (PubChem CID 53387891) has the molecular formula C19H17F3N2O3S and a molecular weight of 410.42 g/mol. Its IUPAC name is 5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
PubChem CID53387891
Molecular FormulaC19H17F3N2O3S
Molecular Weight410.42 g/mol
Exact Mass410.09
IUPAC Name5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
SMILESCOc1cc(-c2nc(N)sc2-c2ccc(C(F)(F)F)cc2)cc(OC)c1OC
InChIInChI=1S/C19H17F3N2O3S/c1-25-13-8-11(9-14(26-2)16(13)27-3)15-17(28-18(23)24-15)10-4-6-12(7-5-10)19(20,21)22/h4-9H,1-3H3,(H2,23,24)
InChIKeyFZNRMIHAEKLZBO-UHFFFAOYSA-N
XLogP5.10
TPSA66.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.42
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine (CID 53387891) is 5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is COc1cc(-c2nc(N)sc2-c2ccc(C(F)(F)F)cc2)cc(OC)c1OC.
What is the InChIKey of 5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
The InChIKey is FZNRMIHAEKLZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3S/c1-25-13-8-11(9-14(26-2)16(13)27-3)15-17(28-18(23)24-15)10-4-6-12(7-5-10)19(20,21)22/h4-9H,1-3H3,(H2,23,24).
What are the key properties of 5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine?
5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine has a molecular weight of 410.42 g/mol, XLogP of 5.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(trifluoromethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 53387891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).