5-(4-methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole

C11H7F3N4S2 — CID 139343883

IUPAC5-(4-methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
SMILESCSc1ccnc(-c2cnc3sc(C(F)(F)F)cn23)n1
InChIInChI=1S/C11H7F3N4S2/c1-19-8-2-3-15-9(17-8)6-4-16-10-18(6)5-7(20-10)11(12,13)14/h2-5H,1H3
InChIKeyQREGCBJEWLVEOS-UHFFFAOYSA-N
MW316.33 g/mol
LogP3.59
Rot. Bonds2

About 5-(4-methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole

5-(4-methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 139343883) has the molecular formula C11H7F3N4S2 and a molecular weight of 316.33 g/mol. Its IUPAC name is 5-(4-methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(4-methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
PubChem CID139343883
Molecular FormulaC11H7F3N4S2
Molecular Weight316.33 g/mol
Exact Mass316.01
IUPAC Name5-(4-methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
SMILESCSc1ccnc(-c2cnc3sc(C(F)(F)F)cn23)n1
InChIInChI=1S/C11H7F3N4S2/c1-19-8-2-3-15-9(17-8)6-4-16-10-18(6)5-7(20-10)11(12,13)14/h2-5H,1H3
InChIKeyQREGCBJEWLVEOS-UHFFFAOYSA-N
XLogP3.59
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(Pyrimidin-2-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
CID 4447936
Thiazolo[2,3-f]purine
CID 23262336
Thiazolo[3,2-e]purine
CID 129780539
N,N-dimethyl-5-{1-[(5-methylpyrazin-2-yl)methyl]-1H-imidazol-2-yl}-1,3-thiazol-2-amine
CID 56868675
3-(Thiazol-2-yl)-7-trifluoromethyl-imidazo[1,2-alpha]pyrimidine
CID 9835150
2-[4-(1-Methylimidazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 90885050
2-(Difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole
CID 139343758
5-[4-[3-(Methylsulfinylmethyl)piperidin-1-yl]pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 139343760
5-(4-Chloropyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 139343827
5-(4-Chloropyrimidin-2-yl)-2-(difluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 139343844
3-(4-Methylsulfanylpyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139344018
5-[4-[3-(Methylsulfanylmethyl)piperidin-1-yl]pyrimidin-2-yl]-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 139358272

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(4-methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole (CID 139343883) is 5-(4-methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(4-methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(4-methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole is CSc1ccnc(-c2cnc3sc(C(F)(F)F)cn23)n1.
What is the InChIKey of 5-(4-methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is QREGCBJEWLVEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N4S2/c1-19-8-2-3-15-9(17-8)6-4-16-10-18(6)5-7(20-10)11(12,13)14/h2-5H,1H3.
What are the key properties of 5-(4-methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole?
5-(4-methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 316.33 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 139343883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).