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

C11H8F2N4S2 — CID 139343758

IUPAC2-(difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole
SMILESCSc1ccnc(-c2cnc3sc(C(F)F)cn23)n1
InChIInChI=1S/C11H8F2N4S2/c1-18-8-2-3-14-10(16-8)6-4-15-11-17(6)5-7(19-11)9(12)13/h2-5,9H,1H3
InChIKeyFCKQDGCAMGSRAP-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.51
Rot. Bonds3

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

2-(difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole (PubChem CID 139343758) has the molecular formula C11H8F2N4S2 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-(difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole
PubChem CID139343758
Molecular FormulaC11H8F2N4S2
Molecular Weight298.34 g/mol
Exact Mass298.02
IUPAC Name2-(difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole
SMILESCSc1ccnc(-c2cnc3sc(C(F)F)cn23)n1
InChIInChI=1S/C11H8F2N4S2/c1-18-8-2-3-14-10(16-8)6-4-15-11-17(6)5-7(19-11)9(12)13/h2-5,9H,1H3
InChIKeyFCKQDGCAMGSRAP-UHFFFAOYSA-N
XLogP3.51
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-[(3-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]pyrimidin-2-amine
CID 72890425
6-(Pyrimidin-2-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
CID 4447936
N,N-dimethyl-5-{1-[(5-methylpyrazin-2-yl)methyl]-1H-imidazol-2-yl}-1,3-thiazol-2-amine
CID 56868675
2-[4-(1-Methylimidazol-2-yl)pyrimidin-2-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 90885050
6-(Difluoromethyl)-3-(4-methylsulfanylpyrimidin-2-yl)imidazo[1,2-a]pyrazine
CID 139343340
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
5-(4-Methylsulfanylpyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
CID 139343883
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
Dimethyl-oxo-[1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-yl]imino-lambda6-sulfane
CID 139358363

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-(difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole (CID 139343758) is 2-(difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-(difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-(difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole is CSc1ccnc(-c2cnc3sc(C(F)F)cn23)n1.
What is the InChIKey of 2-(difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is FCKQDGCAMGSRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2N4S2/c1-18-8-2-3-14-10(16-8)6-4-15-11-17(6)5-7(19-11)9(12)13/h2-5,9H,1H3.
What are the key properties of 2-(difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole?
2-(difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 298.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 139343758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).