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

C4H2F4N2S — CID 90758069

IUPAC2-fluoro-4-(trifluoromethyl)-1,3-thiazol-5-amine
SMILESNc1sc(F)nc1C(F)(F)F
InChIInChI=1S/C4H2F4N2S/c5-3-10-1(2(9)11-3)4(6,7)8/h9H2
InChIKeyRWCFYVHHHORPQL-UHFFFAOYSA-N
MW186.13 g/mol
LogP1.88
Rot. Bonds

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

2-fluoro-4-(trifluoromethyl)-1,3-thiazol-5-amine (PubChem CID 90758069) has the molecular formula C4H2F4N2S and a molecular weight of 186.13 g/mol. Its IUPAC name is 2-fluoro-4-(trifluoromethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-fluoro-4-(trifluoromethyl)-1,3-thiazol-5-amine
PubChem CID90758069
Molecular FormulaC4H2F4N2S
Molecular Weight186.13 g/mol
Exact Mass185.99
IUPAC Name2-fluoro-4-(trifluoromethyl)-1,3-thiazol-5-amine
SMILESNc1sc(F)nc1C(F)(F)F
InChIInChI=1S/C4H2F4N2S/c5-3-10-1(2(9)11-3)4(6,7)8/h9H2
InChIKeyRWCFYVHHHORPQL-UHFFFAOYSA-N
XLogP1.88
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.13
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(trifluoromethyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-fluoro-4-(trifluoromethyl)-1,3-thiazol-5-amine (CID 90758069) is 2-fluoro-4-(trifluoromethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-fluoro-4-(trifluoromethyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-fluoro-4-(trifluoromethyl)-1,3-thiazol-5-amine is Nc1sc(F)nc1C(F)(F)F.
What is the InChIKey of 2-fluoro-4-(trifluoromethyl)-1,3-thiazol-5-amine?
The InChIKey is RWCFYVHHHORPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F4N2S/c5-3-10-1(2(9)11-3)4(6,7)8/h9H2.
What are the key properties of 2-fluoro-4-(trifluoromethyl)-1,3-thiazol-5-amine?
2-fluoro-4-(trifluoromethyl)-1,3-thiazol-5-amine has a molecular weight of 186.13 g/mol, XLogP of 1.88, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(trifluoromethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 90758069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).