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

C9H6F3N3S — CID 69151554

IUPAC2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-amine
SMILESNc1cccnc1-c1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H6F3N3S/c10-9(11,12)6-4-16-8(15-6)7-5(13)2-1-3-14-7/h1-4H,13H2
InChIKeyLSVIOCHMDVNGNM-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.81
Rot. Bonds1

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

2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-amine (PubChem CID 69151554) has the molecular formula C9H6F3N3S and a molecular weight of 245.23 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-amine
PubChem CID69151554
Molecular FormulaC9H6F3N3S
Molecular Weight245.23 g/mol
Exact Mass245.02
IUPAC Name2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-amine
SMILESNc1cccnc1-c1nc(C(F)(F)F)cs1
InChIInChI=1S/C9H6F3N3S/c10-9(11,12)6-4-16-8(15-6)7-5(13)2-1-3-14-7/h1-4H,13H2
InChIKeyLSVIOCHMDVNGNM-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 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-amine?
The IUPAC name of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-amine (CID 69151554) is 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-amine.
What is the SMILES notation for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-amine?
The canonical SMILES for 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-amine is Nc1cccnc1-c1nc(C(F)(F)F)cs1.
What is the InChIKey of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-amine?
The InChIKey is LSVIOCHMDVNGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3S/c10-9(11,12)6-4-16-8(15-6)7-5(13)2-1-3-14-7/h1-4H,13H2.
What are the key properties of 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-amine?
2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-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 2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyridin-3-amine is sourced from PubChem (CID 69151554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).