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

C10H7F3N2S — CID 15123012

IUPAC2-phenyl-4-(trifluoromethyl)-1,3-thiazol-5-amine
SMILESNc1sc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C10H7F3N2S/c11-10(12,13)7-8(14)16-9(15-7)6-4-2-1-3-5-6/h1-5H,14H2
InChIKeyARXFMKPRYJYWOH-UHFFFAOYSA-N
MW244.24 g/mol
LogP3.41
Rot. Bonds1

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

2-phenyl-4-(trifluoromethyl)-1,3-thiazol-5-amine (PubChem CID 15123012) has the molecular formula C10H7F3N2S and a molecular weight of 244.24 g/mol. Its IUPAC name is 2-phenyl-4-(trifluoromethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-phenyl-4-(trifluoromethyl)-1,3-thiazol-5-amine
PubChem CID15123012
Molecular FormulaC10H7F3N2S
Molecular Weight244.24 g/mol
Exact Mass244.03
IUPAC Name2-phenyl-4-(trifluoromethyl)-1,3-thiazol-5-amine
SMILESNc1sc(-c2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C10H7F3N2S/c11-10(12,13)7-8(14)16-9(15-7)6-4-2-1-3-5-6/h1-5H,14H2
InChIKeyARXFMKPRYJYWOH-UHFFFAOYSA-N
XLogP3.41
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(trifluoromethyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-phenyl-4-(trifluoromethyl)-1,3-thiazol-5-amine (CID 15123012) is 2-phenyl-4-(trifluoromethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-phenyl-4-(trifluoromethyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-phenyl-4-(trifluoromethyl)-1,3-thiazol-5-amine is Nc1sc(-c2ccccc2)nc1C(F)(F)F.
What is the InChIKey of 2-phenyl-4-(trifluoromethyl)-1,3-thiazol-5-amine?
The InChIKey is ARXFMKPRYJYWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2S/c11-10(12,13)7-8(14)16-9(15-7)6-4-2-1-3-5-6/h1-5H,14H2.
What are the key properties of 2-phenyl-4-(trifluoromethyl)-1,3-thiazol-5-amine?
2-phenyl-4-(trifluoromethyl)-1,3-thiazol-5-amine has a molecular weight of 244.24 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(trifluoromethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 15123012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).