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

C10H4ClF3N4S — CID 139343827

IUPAC5-(4-chloropyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
SMILESFC(F)(F)c1cn2c(-c3nccc(Cl)n3)cnc2s1
InChIInChI=1S/C10H4ClF3N4S/c11-7-1-2-15-8(17-7)5-3-16-9-18(5)4-6(19-9)10(12,13)14/h1-4H
InChIKeyCJMBFVVGFZQHKO-UHFFFAOYSA-N
MW304.68 g/mol
LogP3.53
Rot. Bonds1

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

5-(4-chloropyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 139343827) has the molecular formula C10H4ClF3N4S and a molecular weight of 304.68 g/mol. Its IUPAC name is 5-(4-chloropyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(4-chloropyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
PubChem CID139343827
Molecular FormulaC10H4ClF3N4S
Molecular Weight304.68 g/mol
Exact Mass303.98
IUPAC Name5-(4-chloropyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole
SMILESFC(F)(F)c1cn2c(-c3nccc(Cl)n3)cnc2s1
InChIInChI=1S/C10H4ClF3N4S/c11-7-1-2-15-8(17-7)5-3-16-9-18(5)4-6(19-9)10(12,13)14/h1-4H
InChIKeyCJMBFVVGFZQHKO-UHFFFAOYSA-N
XLogP3.53
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.68
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Pyrimidin-2-ylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole
CID 4447936
1-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylmethanamine
CID 25404823
2-(Difluoromethyl)-5-(4-methylsulfanylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole
CID 139343758
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
2-(Difluoromethyl)-5-(4-methylpyrimidin-2-yl)imidazo[2,1-b][1,3]thiazole
CID 153418445
4-[2-[2-(Trifluoromethyl)imidazo[2,1-b][1,3]thiazol-5-yl]pyrimidin-4-yl]morpholine
CID 167202091
4-Chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 170633041
2-Chloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(difluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 170633067
5-[1-[(5-Chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-2-fluoro-1,3-thiazole
CID 170633072
2,4-Dichloro-5-[1-[(5-chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
CID 170633074
5-[1-[(5-Chloropyrimidin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-4-methyl-1,3-thiazole
CID 170633077

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloropyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(4-chloropyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole (CID 139343827) is 5-(4-chloropyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(4-chloropyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(4-chloropyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole is FC(F)(F)c1cn2c(-c3nccc(Cl)n3)cnc2s1.
What is the InChIKey of 5-(4-chloropyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is CJMBFVVGFZQHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3N4S/c11-7-1-2-15-8(17-7)5-3-16-9-18(5)4-6(19-9)10(12,13)14/h1-4H.
What are the key properties of 5-(4-chloropyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole?
5-(4-chloropyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 304.68 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloropyrimidin-2-yl)-2-(trifluoromethyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 139343827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).