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

C4H3F3N2S — CID 1201417

IUPAC4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESNc1nc(C(F)(F)F)cs1
InChIInChI=1S/C4H3F3N2S/c5-4(6,7)2-1-10-3(8)9-2/h1H,(H2,8,9)
InChIKeyOVMGTNMCYLZGLS-UHFFFAOYSA-N
MW168.14 g/mol
LogP1.74
Rot. Bonds

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

4-(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 1201417) has the molecular formula C4H3F3N2S and a molecular weight of 168.14 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID1201417
Molecular FormulaC4H3F3N2S
Molecular Weight168.14 g/mol
Exact Mass168.00
IUPAC Name4-(trifluoromethyl)-1,3-thiazol-2-amine
SMILESNc1nc(C(F)(F)F)cs1
InChIInChI=1S/C4H3F3N2S/c5-4(6,7)2-1-10-3(8)9-2/h1H,(H2,8,9)
InChIKeyOVMGTNMCYLZGLS-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 4-(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(trifluoromethyl)-1,3-thiazol-2-amine (CID 1201417) is 4-(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(trifluoromethyl)-1,3-thiazol-2-amine is Nc1nc(C(F)(F)F)cs1.
What is the InChIKey of 4-(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is OVMGTNMCYLZGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F3N2S/c5-4(6,7)2-1-10-3(8)9-2/h1H,(H2,8,9).
What are the key properties of 4-(trifluoromethyl)-1,3-thiazol-2-amine?
4-(trifluoromethyl)-1,3-thiazol-2-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 4-(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 1201417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).