2-(furan-2-yl)-4-phenyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazol-5-amine

C16H13F3N2OS — CID 143726695

IUPAC2-(furan-2-yl)-4-phenyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazol-5-amine
SMILESCC(Nc1sc(-c2ccco2)nc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H13F3N2OS/c1-10(16(17,18)19)20-15-13(11-6-3-2-4-7-11)21-14(23-15)12-8-5-9-22-12/h2-10,20H,1H3
InChIKeyMFZMFWZCJFGJQY-UHFFFAOYSA-N
MW338.35 g/mol
LogP5.43
Rot. Bonds4

About 2-(furan-2-yl)-4-phenyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazol-5-amine

2-(furan-2-yl)-4-phenyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazol-5-amine (PubChem CID 143726695) has the molecular formula C16H13F3N2OS and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-phenyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(furan-2-yl)-4-phenyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazol-5-amine
PubChem CID143726695
Molecular FormulaC16H13F3N2OS
Molecular Weight338.35 g/mol
Exact Mass338.07
IUPAC Name2-(furan-2-yl)-4-phenyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazol-5-amine
SMILESCC(Nc1sc(-c2ccco2)nc1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H13F3N2OS/c1-10(16(17,18)19)20-15-13(11-6-3-2-4-7-11)21-14(23-15)12-8-5-9-22-12/h2-10,20H,1H3
InChIKeyMFZMFWZCJFGJQY-UHFFFAOYSA-N
XLogP5.43
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.35
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-phenyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazol-5-amine?
The IUPAC name of 2-(furan-2-yl)-4-phenyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazol-5-amine (CID 143726695) is 2-(furan-2-yl)-4-phenyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(furan-2-yl)-4-phenyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(furan-2-yl)-4-phenyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazol-5-amine is CC(Nc1sc(-c2ccco2)nc1-c1ccccc1)C(F)(F)F.
What is the InChIKey of 2-(furan-2-yl)-4-phenyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazol-5-amine?
The InChIKey is MFZMFWZCJFGJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2OS/c1-10(16(17,18)19)20-15-13(11-6-3-2-4-7-11)21-14(23-15)12-8-5-9-22-12/h2-10,20H,1H3.
What are the key properties of 2-(furan-2-yl)-4-phenyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazol-5-amine?
2-(furan-2-yl)-4-phenyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazol-5-amine has a molecular weight of 338.35 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-phenyl-N-(1,1,1-trifluoropropan-2-yl)-1,3-thiazol-5-amine is sourced from PubChem (CID 143726695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).