2-[1-[(1-ethyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole

C19H19F3N6S — CID 20812128

IUPAC2-[1-[(1-ethyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESCCn1c(Cn2cc(C(F)(F)F)nc2-c2nccs2)nc2cnc(C(C)C)cc21
InChIInChI=1S/C19H19F3N6S/c1-4-28-14-7-12(11(2)3)24-8-13(14)25-16(28)10-27-9-15(19(20,21)22)26-17(27)18-23-5-6-29-18/h5-9,11H,4,10H2,1-3H3
InChIKeyRQRTWKILYZJRIT-UHFFFAOYSA-N
MW420.46 g/mol
LogP4.96
Rot. Bonds5

About 2-[1-[(1-ethyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole

2-[1-[(1-ethyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole (PubChem CID 20812128) has the molecular formula C19H19F3N6S and a molecular weight of 420.46 g/mol. Its IUPAC name is 2-[1-[(1-ethyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[(1-ethyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
PubChem CID20812128
Molecular FormulaC19H19F3N6S
Molecular Weight420.46 g/mol
Exact Mass420.13
IUPAC Name2-[1-[(1-ethyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole
SMILESCCn1c(Cn2cc(C(F)(F)F)nc2-c2nccs2)nc2cnc(C(C)C)cc21
InChIInChI=1S/C19H19F3N6S/c1-4-28-14-7-12(11(2)3)24-8-13(14)25-16(28)10-27-9-15(19(20,21)22)26-17(27)18-23-5-6-29-18/h5-9,11H,4,10H2,1-3H3
InChIKeyRQRTWKILYZJRIT-UHFFFAOYSA-N
XLogP4.96
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The IUPAC name of 2-[1-[(1-ethyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole (CID 20812128) is 2-[1-[(1-ethyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[(1-ethyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[1-[(1-ethyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole is CCn1c(Cn2cc(C(F)(F)F)nc2-c2nccs2)nc2cnc(C(C)C)cc21.
What is the InChIKey of 2-[1-[(1-ethyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
The InChIKey is RQRTWKILYZJRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6S/c1-4-28-14-7-12(11(2)3)24-8-13(14)25-16(28)10-27-9-15(19(20,21)22)26-17(27)18-23-5-6-29-18/h5-9,11H,4,10H2,1-3H3.
What are the key properties of 2-[1-[(1-ethyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole?
2-[1-[(1-ethyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole has a molecular weight of 420.46 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethyl-6-propan-2-ylimidazo[4,5-c]pyridin-2-yl)methyl]-4-(trifluoromethyl)imidazol-2-yl]-1,3-thiazole is sourced from PubChem (CID 20812128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).