4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]morpholine

C14H12F3N5OS — CID 167202091

IUPAC4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCOCC4)n3)cnc2s1
InChIInChI=1S/C14H12F3N5OS/c15-14(16,17)10-8-22-9(7-19-13(22)24-10)12-18-2-1-11(20-12)21-3-5-23-6-4-21/h1-2,7-8H,3-6H2
InChIKeyOAPHYQBCRVFWEM-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.71
Rot. Bonds2

About 4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]morpholine

4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]morpholine (PubChem CID 167202091) has the molecular formula C14H12F3N5OS and a molecular weight of 355.35 g/mol. Its IUPAC name is 4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]morpholine
PubChem CID167202091
Molecular FormulaC14H12F3N5OS
Molecular Weight355.35 g/mol
Exact Mass355.07
IUPAC Name4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]morpholine
SMILESFC(F)(F)c1cn2c(-c3nccc(N4CCOCC4)n3)cnc2s1
InChIInChI=1S/C14H12F3N5OS/c15-14(16,17)10-8-22-9(7-19-13(22)24-10)12-18-2-1-11(20-12)21-3-5-23-6-4-21/h1-2,7-8H,3-6H2
InChIKeyOAPHYQBCRVFWEM-UHFFFAOYSA-N
XLogP2.71
TPSA55.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-Fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)pyrimidin-4-amine
CID 57818695
2-(Difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole
CID 139343758
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
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
Methylsulfanylmethane;1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-amine
CID 153330896
3-imino-2-[(2R)-4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]morpholin-2-yl]prop-1-en-1-amine
CID 173816307
1-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]-2H-1,4-diazepin-5-one
CID 151739998
1-[2-[2-(Trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]piperidin-3-amine
CID 153330897
N-[(3-ethylimidazol-4-yl)methyl]-N-(2-methoxyethyl)-2-(1,3-thiazol-2-yl)pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 167976414

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]morpholine (CID 167202091) is 4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]morpholine is FC(F)(F)c1cn2c(-c3nccc(N4CCOCC4)n3)cnc2s1.
What is the InChIKey of 4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]morpholine?
The InChIKey is OAPHYQBCRVFWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N5OS/c15-14(16,17)10-8-22-9(7-19-13(22)24-10)12-18-2-1-11(20-12)21-3-5-23-6-4-21/h1-2,7-8H,3-6H2.
What are the key properties of 4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]morpholine?
4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]morpholine has a molecular weight of 355.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 167202091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).