4-[5-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazole

C8H4F3N3S — CID 163362737

IUPAC4-[5-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1cnc(-c2cscn2)nc1
InChIInChI=1S/C8H4F3N3S/c9-8(10,11)5-1-12-7(13-2-5)6-3-15-4-14-6/h1-4H
InChIKeyGKKCNDITLLBBDB-UHFFFAOYSA-N
MW231.20 g/mol
LogP2.62
Rot. Bonds1

About 4-[5-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazole

4-[5-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazole (PubChem CID 163362737) has the molecular formula C8H4F3N3S and a molecular weight of 231.20 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazole
PubChem CID163362737
Molecular FormulaC8H4F3N3S
Molecular Weight231.20 g/mol
Exact Mass231.01
IUPAC Name4-[5-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazole
SMILESFC(F)(F)c1cnc(-c2cscn2)nc1
InChIInChI=1S/C8H4F3N3S/c9-8(10,11)5-1-12-7(13-2-5)6-3-15-4-14-6/h1-4H
InChIKeyGKKCNDITLLBBDB-UHFFFAOYSA-N
XLogP2.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 72900718
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CID 43622191
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CID 12513498
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CID 14664690
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CID 50952187
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CID 53524405
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Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 4-[5-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazole (CID 163362737) is 4-[5-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 4-[5-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 4-[5-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazole is FC(F)(F)c1cnc(-c2cscn2)nc1.
What is the InChIKey of 4-[5-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is GKKCNDITLLBBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3N3S/c9-8(10,11)5-1-12-7(13-2-5)6-3-15-4-14-6/h1-4H.
What are the key properties of 4-[5-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazole?
4-[5-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 231.20 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 163362737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).