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

C4H3F3N2S — CID 53403798

IUPAC2-(trifluoromethyl)-1,3-thiazol-5-amine
SMILESNc1cnc(C(F)(F)F)s1
InChIInChI=1S/C4H3F3N2S/c5-4(6,7)3-9-1-2(8)10-3/h1H,8H2
InChIKeyGYNHFFHGWBAGTP-UHFFFAOYSA-N
MW168.14 g/mol
LogP1.74
Rot. Bonds

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

2-(trifluoromethyl)-1,3-thiazol-5-amine (PubChem CID 53403798) has the molecular formula C4H3F3N2S and a molecular weight of 168.14 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,3-thiazol-5-amine
PubChem CID53403798
Molecular FormulaC4H3F3N2S
Molecular Weight168.14 g/mol
Exact Mass168.00
IUPAC Name2-(trifluoromethyl)-1,3-thiazol-5-amine
SMILESNc1cnc(C(F)(F)F)s1
InChIInChI=1S/C4H3F3N2S/c5-4(6,7)3-9-1-2(8)10-3/h1H,8H2
InChIKeyGYNHFFHGWBAGTP-UHFFFAOYSA-N
XLogP1.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-(trifluoromethyl)-1,3-thiazol-5-amine (CID 53403798) is 2-(trifluoromethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(trifluoromethyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(trifluoromethyl)-1,3-thiazol-5-amine is Nc1cnc(C(F)(F)F)s1.
What is the InChIKey of 2-(trifluoromethyl)-1,3-thiazol-5-amine?
The InChIKey is GYNHFFHGWBAGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2S/c5-4(6,7)3-9-1-2(8)10-3/h1H,8H2.
What are the key properties of 2-(trifluoromethyl)-1,3-thiazol-5-amine?
2-(trifluoromethyl)-1,3-thiazol-5-amine has a molecular weight of 168.14 g/mol, XLogP of 1.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 53403798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).