4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-amine

C19H17F3N2OS — CID 58955426

IUPAC4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(C(Cc2ccc(C(F)(F)F)cc2)c2csc(N)n2)cc1
InChIInChI=1S/C19H17F3N2OS/c1-25-15-8-4-13(5-9-15)16(17-11-26-18(23)24-17)10-12-2-6-14(7-3-12)19(20,21)22/h2-9,11,16H,10H2,1H3,(H2,23,24)
InChIKeyCYRDLYCDTWPOCS-UHFFFAOYSA-N
MW378.42 g/mol
LogP5.13
Rot. Bonds5

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

4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-amine (PubChem CID 58955426) has the molecular formula C19H17F3N2OS and a molecular weight of 378.42 g/mol. Its IUPAC name is 4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-amine
PubChem CID58955426
Molecular FormulaC19H17F3N2OS
Molecular Weight378.42 g/mol
Exact Mass378.10
IUPAC Name4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-amine
SMILESCOc1ccc(C(Cc2ccc(C(F)(F)F)cc2)c2csc(N)n2)cc1
InChIInChI=1S/C19H17F3N2OS/c1-25-15-8-4-13(5-9-15)16(17-11-26-18(23)24-17)10-12-2-6-14(7-3-12)19(20,21)22/h2-9,11,16H,10H2,1H3,(H2,23,24)
InChIKeyCYRDLYCDTWPOCS-UHFFFAOYSA-N
XLogP5.13
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.42
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-amine (CID 58955426) is 4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-amine is COc1ccc(C(Cc2ccc(C(F)(F)F)cc2)c2csc(N)n2)cc1.
What is the InChIKey of 4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-amine?
The InChIKey is CYRDLYCDTWPOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2OS/c1-25-15-8-4-13(5-9-15)16(17-11-26-18(23)24-17)10-12-2-6-14(7-3-12)19(20,21)22/h2-9,11,16H,10H2,1H3,(H2,23,24).
What are the key properties of 4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-amine?
4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-amine has a molecular weight of 378.42 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 58955426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).