2,4-dimethyl-5-[2-[[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole

C19H20F3N3OS2 — CID 148631708

IUPAC2,4-dimethyl-5-[2-[[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole
SMILESCc1nc(C)c(-c2csc(Cc3ccc(COC(C)(C)C(F)(F)F)cn3)n2)s1
InChIInChI=1S/C19H20F3N3OS2/c1-11-17(28-12(2)24-11)15-10-27-16(25-15)7-14-6-5-13(8-23-14)9-26-18(3,4)19(20,21)22/h5-6,8,10H,7,9H2,1-4H3
InChIKeyNIGUQPNABVMCPZ-UHFFFAOYSA-N
MW427.52 g/mol
LogP5.73
Rot. Bonds6

About 2,4-dimethyl-5-[2-[[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole

2,4-dimethyl-5-[2-[[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole (PubChem CID 148631708) has the molecular formula C19H20F3N3OS2 and a molecular weight of 427.52 g/mol. Its IUPAC name is 2,4-dimethyl-5-[2-[[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name2,4-dimethyl-5-[2-[[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole
PubChem CID148631708
Molecular FormulaC19H20F3N3OS2
Molecular Weight427.52 g/mol
Exact Mass427.10
IUPAC Name2,4-dimethyl-5-[2-[[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole
SMILESCc1nc(C)c(-c2csc(Cc3ccc(COC(C)(C)C(F)(F)F)cn3)n2)s1
InChIInChI=1S/C19H20F3N3OS2/c1-11-17(28-12(2)24-11)15-10-27-16(25-15)7-14-6-5-13(8-23-14)9-26-18(3,4)19(20,21)22/h5-6,8,10H,7,9H2,1-4H3
InChIKeyNIGUQPNABVMCPZ-UHFFFAOYSA-N
XLogP5.73
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.52
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,4-dimethyl-5-[2-[[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole with MolForge

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Related Compounds

(1S)-1-[4-methyl-5-[2-[[5-[4,4,4-trifluoro-3-(trifluoromethyl)butyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]ethanol
CID 158200538
1-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-3-phenylpropan-1-one
CID 147398133
4-[2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-2-oxoethyl]benzonitrile
CID 159819083
cyclohexyl-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]methanone
CID 158200181
2,4-dimethyl-5-[2-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-1,3-thiazole
CID 149358576
4-chloro-N-[2-(6-chloro-3-pyridinyl)ethyl]-2-fluoroaniline;4-chloro-N-[2-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]ethyl]-2-fluoroaniline;2-(6-chloro-3-pyridinyl)acetaldehyde;2-(6-chloro-3-pyridinyl)ethanol
CID 161169880
5-[2-[3-(4-chlorophenyl)propyl]-1,3-thiazol-4-yl]-2,4-dimethyl-1,3-thiazole
CID 158176861
[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-(1,4-oxazepan-4-yl)methanone
CID 146956911
2-[(1S,5R)-8-[6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]pyridine-3-carbonyl]-8-azabicyclo[3.2.1]octan-3-yl]acetonitrile
CID 153081175
1-[6-[[4-[2-(1-hydroxyethyl)-4-methyl-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]methyl]-3-pyridinyl]-2-[1-(trifluoromethyl)cyclopropyl]ethanone;hydrochloride
CID 162202891
[1-[5-(trifluoromethyl)pyrimidin-2-yl]azetidin-3-yl] 2-[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]acetate
CID 158830745
3-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]methyl]-4-ethoxybenzamide
CID 157087851

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[2-[[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole?
The IUPAC name of 2,4-dimethyl-5-[2-[[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole (CID 148631708) is 2,4-dimethyl-5-[2-[[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole.
What is the SMILES notation for 2,4-dimethyl-5-[2-[[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole?
The canonical SMILES for 2,4-dimethyl-5-[2-[[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole is Cc1nc(C)c(-c2csc(Cc3ccc(COC(C)(C)C(F)(F)F)cn3)n2)s1.
What is the InChIKey of 2,4-dimethyl-5-[2-[[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole?
The InChIKey is NIGUQPNABVMCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3OS2/c1-11-17(28-12(2)24-11)15-10-27-16(25-15)7-14-6-5-13(8-23-14)9-26-18(3,4)19(20,21)22/h5-6,8,10H,7,9H2,1-4H3.
What are the key properties of 2,4-dimethyl-5-[2-[[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole?
2,4-dimethyl-5-[2-[[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole has a molecular weight of 427.52 g/mol, XLogP of 5.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[2-[[5-[(1,1,1-trifluoro-2-methylpropan-2-yl)oxymethyl]-2-pyridinyl]methyl]-1,3-thiazol-4-yl]-1,3-thiazole is sourced from PubChem (CID 148631708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).