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

C5H2F6N2S — CID 15710714

IUPAC4,5-bis(trifluoromethyl)-1,3-thiazol-2-amine
SMILESNc1nc(C(F)(F)F)c(C(F)(F)F)s1
InChIInChI=1S/C5H2F6N2S/c6-4(7,8)1-2(5(9,10)11)14-3(12)13-1/h(H2,12,13)
InChIKeyGXNOWIIFOVMSNQ-UHFFFAOYSA-N
MW236.14 g/mol
LogP2.76
Rot. Bonds

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

4,5-bis(trifluoromethyl)-1,3-thiazol-2-amine (PubChem CID 15710714) has the molecular formula C5H2F6N2S and a molecular weight of 236.14 g/mol. Its IUPAC name is 4,5-bis(trifluoromethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-bis(trifluoromethyl)-1,3-thiazol-2-amine
PubChem CID15710714
Molecular FormulaC5H2F6N2S
Molecular Weight236.14 g/mol
Exact Mass235.98
IUPAC Name4,5-bis(trifluoromethyl)-1,3-thiazol-2-amine
SMILESNc1nc(C(F)(F)F)c(C(F)(F)F)s1
InChIInChI=1S/C5H2F6N2S/c6-4(7,8)1-2(5(9,10)11)14-3(12)13-1/h(H2,12,13)
InChIKeyGXNOWIIFOVMSNQ-UHFFFAOYSA-N
XLogP2.76
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.14
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(trifluoromethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4,5-bis(trifluoromethyl)-1,3-thiazol-2-amine (CID 15710714) is 4,5-bis(trifluoromethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-bis(trifluoromethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-bis(trifluoromethyl)-1,3-thiazol-2-amine is Nc1nc(C(F)(F)F)c(C(F)(F)F)s1.
What is the InChIKey of 4,5-bis(trifluoromethyl)-1,3-thiazol-2-amine?
The InChIKey is GXNOWIIFOVMSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F6N2S/c6-4(7,8)1-2(5(9,10)11)14-3(12)13-1/h(H2,12,13).
What are the key properties of 4,5-bis(trifluoromethyl)-1,3-thiazol-2-amine?
4,5-bis(trifluoromethyl)-1,3-thiazol-2-amine has a molecular weight of 236.14 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(trifluoromethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 15710714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).