4-chloro-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole

C11H8ClF3N2S — CID 123250197

IUPAC4-chloro-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
SMILESCC(c1sc(-c2cccnc2)nc1Cl)C(F)(F)F
InChIInChI=1S/C11H8ClF3N2S/c1-6(11(13,14)15)8-9(12)17-10(18-8)7-3-2-4-16-5-7/h2-6H,1H3
InChIKeyFPBKFHDBCROLFK-UHFFFAOYSA-N
MW292.71 g/mol
LogP4.52
Rot. Bonds2

About 4-chloro-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole

4-chloro-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole (PubChem CID 123250197) has the molecular formula C11H8ClF3N2S and a molecular weight of 292.71 g/mol. Its IUPAC name is 4-chloro-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
PubChem CID123250197
Molecular FormulaC11H8ClF3N2S
Molecular Weight292.71 g/mol
Exact Mass292.00
IUPAC Name4-chloro-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole
SMILESCC(c1sc(-c2cccnc2)nc1Cl)C(F)(F)F
InChIInChI=1S/C11H8ClF3N2S/c1-6(11(13,14)15)8-9(12)17-10(18-8)7-3-2-4-16-5-7/h2-6H,1H3
InChIKeyFPBKFHDBCROLFK-UHFFFAOYSA-N
XLogP4.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.71
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole (CID 123250197) is 4-chloro-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole is CC(c1sc(-c2cccnc2)nc1Cl)C(F)(F)F.
What is the InChIKey of 4-chloro-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?
The InChIKey is FPBKFHDBCROLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClF3N2S/c1-6(11(13,14)15)8-9(12)17-10(18-8)7-3-2-4-16-5-7/h2-6H,1H3.
What are the key properties of 4-chloro-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole?
4-chloro-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole has a molecular weight of 292.71 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-pyridin-3-yl-5-(1,1,1-trifluoropropan-2-yl)-1,3-thiazole is sourced from PubChem (CID 123250197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).