4-[2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine

C9H6F3N3S — CID 134819109

IUPAC4-[2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccnc2C(F)(F)F)cs1
InChIInChI=1S/C9H6F3N3S/c10-9(11,12)7-5(2-1-3-14-7)6-4-16-8(13)15-6/h1-4H,(H2,13,15)
InChIKeyUAYHORBYTCPCKI-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.81
Rot. Bonds1

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

4-[2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 134819109) has the molecular formula C9H6F3N3S and a molecular weight of 245.23 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine
PubChem CID134819109
Molecular FormulaC9H6F3N3S
Molecular Weight245.23 g/mol
Exact Mass245.02
IUPAC Name4-[2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine
SMILESNc1nc(-c2cccnc2C(F)(F)F)cs1
InChIInChI=1S/C9H6F3N3S/c10-9(11,12)7-5(2-1-3-14-7)6-4-16-8(13)15-6/h1-4H,(H2,13,15)
InChIKeyUAYHORBYTCPCKI-UHFFFAOYSA-N
XLogP2.81
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine (CID 134819109) is 4-[2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine is Nc1nc(-c2cccnc2C(F)(F)F)cs1.
What is the InChIKey of 4-[2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is UAYHORBYTCPCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3S/c10-9(11,12)7-5(2-1-3-14-7)6-4-16-8(13)15-6/h1-4H,(H2,13,15).
What are the key properties of 4-[2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine?
4-[2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 245.23 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)-3-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 134819109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).