cesium [4,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]azanide

C15H11CsF3N3S — CID 143934376

IUPACcesium [4,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]azanide
SMILESCc1cc(-c2nc(C(F)(F)F)cs2)nc2c(C)c([NH-])ccc12.[Cs+]
InChIInChI=1S/C15H11F3N3S.Cs/c1-7-5-11(14-21-12(6-22-14)15(16,17)18)20-13-8(2)10(19)4-3-9(7)13;/h3-6,19H,1-2H3;/q-1;+1
InChIKeyMFRPWZOOSFJOFG-UHFFFAOYSA-N
MW455.24 g/mol
LogP2.68
Rot. Bonds1

About cesium [4,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]azanide

cesium [4,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]azanide (PubChem CID 143934376) has the molecular formula C15H11CsF3N3S and a molecular weight of 455.24 g/mol. Its IUPAC name is cesium [4,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]azanide.

Molecular Properties

Compound Namecesium [4,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]azanide
PubChem CID143934376
Molecular FormulaC15H11CsF3N3S
Molecular Weight455.24 g/mol
Exact Mass454.97
IUPAC Namecesium [4,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]azanide
SMILESCc1cc(-c2nc(C(F)(F)F)cs2)nc2c(C)c([NH-])ccc12.[Cs+]
InChIInChI=1S/C15H11F3N3S.Cs/c1-7-5-11(14-21-12(6-22-14)15(16,17)18)20-13-8(2)10(19)4-3-9(7)13;/h3-6,19H,1-2H3;/q-1;+1
InChIKeyMFRPWZOOSFJOFG-UHFFFAOYSA-N
XLogP2.68
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.24
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cesium [4,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]azanide?
The IUPAC name of cesium [4,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]azanide (CID 143934376) is cesium [4,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]azanide.
What is the SMILES notation for cesium [4,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]azanide?
The canonical SMILES for cesium [4,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]azanide is Cc1cc(-c2nc(C(F)(F)F)cs2)nc2c(C)c([NH-])ccc12.[Cs+].
What is the InChIKey of cesium [4,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]azanide?
The InChIKey is MFRPWZOOSFJOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N3S.Cs/c1-7-5-11(14-21-12(6-22-14)15(16,17)18)20-13-8(2)10(19)4-3-9(7)13;/h3-6,19H,1-2H3;/q-1;+1.
What are the key properties of cesium [4,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]azanide?
cesium [4,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]azanide has a molecular weight of 455.24 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cesium [4,8-dimethyl-2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]quinolin-7-yl]azanide is sourced from PubChem (CID 143934376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).