1,3-thiazol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone

C11H4F3N3OS2 — CID 22674484

IUPAC1,3-thiazol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESO=C(c1nccs1)c1nc(C(F)(F)F)nc2ccsc12
InChIInChI=1S/C11H4F3N3OS2/c12-11(13,14)10-16-5-1-3-19-8(5)6(17-10)7(18)9-15-2-4-20-9/h1-4H
InChIKeyFPNFAKZHWWSOET-UHFFFAOYSA-N
MW315.30 g/mol
LogP3.40
Rot. Bonds2

About 1,3-thiazol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone

1,3-thiazol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone (PubChem CID 22674484) has the molecular formula C11H4F3N3OS2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 1,3-thiazol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name1,3-thiazol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
PubChem CID22674484
Molecular FormulaC11H4F3N3OS2
Molecular Weight315.30 g/mol
Exact Mass314.97
IUPAC Name1,3-thiazol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone
SMILESO=C(c1nccs1)c1nc(C(F)(F)F)nc2ccsc12
InChIInChI=1S/C11H4F3N3OS2/c12-11(13,14)10-16-5-1-3-19-8(5)6(17-10)7(18)9-15-2-4-20-9/h1-4H
InChIKeyFPNFAKZHWWSOET-UHFFFAOYSA-N
XLogP3.40
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3-thiazol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone?
The IUPAC name of 1,3-thiazol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone (CID 22674484) is 1,3-thiazol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone.
What is the SMILES notation for 1,3-thiazol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone?
The canonical SMILES for 1,3-thiazol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone is O=C(c1nccs1)c1nc(C(F)(F)F)nc2ccsc12.
What is the InChIKey of 1,3-thiazol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone?
The InChIKey is FPNFAKZHWWSOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F3N3OS2/c12-11(13,14)10-16-5-1-3-19-8(5)6(17-10)7(18)9-15-2-4-20-9/h1-4H.
What are the key properties of 1,3-thiazol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone?
1,3-thiazol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone has a molecular weight of 315.30 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-thiazol-2-yl-[2-(trifluoromethyl)thieno[3,2-d]pyrimidin-4-yl]methanone is sourced from PubChem (CID 22674484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).