8-[4-(3,4-difluoro-2-methylphenyl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane

C16H16F2N2OS — CID 167513128

IUPAC8-[4-(3,4-difluoro-2-methylphenyl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCc1c(-c2csc(N3C4CCC3COC4)n2)ccc(F)c1F
InChIInChI=1S/C16H16F2N2OS/c1-9-12(4-5-13(17)15(9)18)14-8-22-16(19-14)20-10-2-3-11(20)7-21-6-10/h4-5,8,10-11H,2-3,6-7H2,1H3
InChIKeyUEZURPWFZVXNGH-UHFFFAOYSA-N
MW322.38 g/mol
LogP3.76
Rot. Bonds2

About 8-[4-(3,4-difluoro-2-methylphenyl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane

8-[4-(3,4-difluoro-2-methylphenyl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane (PubChem CID 167513128) has the molecular formula C16H16F2N2OS and a molecular weight of 322.38 g/mol. Its IUPAC name is 8-[4-(3,4-difluoro-2-methylphenyl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[4-(3,4-difluoro-2-methylphenyl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane
PubChem CID167513128
Molecular FormulaC16H16F2N2OS
Molecular Weight322.38 g/mol
Exact Mass322.10
IUPAC Name8-[4-(3,4-difluoro-2-methylphenyl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane
SMILESCc1c(-c2csc(N3C4CCC3COC4)n2)ccc(F)c1F
InChIInChI=1S/C16H16F2N2OS/c1-9-12(4-5-13(17)15(9)18)14-8-22-16(19-14)20-10-2-3-11(20)7-21-6-10/h4-5,8,10-11H,2-3,6-7H2,1H3
InChIKeyUEZURPWFZVXNGH-UHFFFAOYSA-N
XLogP3.76
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[4-(3,4-difluoro-2-methylphenyl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-2-fluoro-6-[2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1,3-thiazol-4-yl]aniline;methane
CID 167513101
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-8-yl]-4-(2-tert-butyl-3,4-difluorophenyl)-1,3-thiazole
CID 174340204
2-(9-azabicyclo[3.3.1]nonan-9-yl)-4-(2-tert-butyl-3,4-difluorophenyl)-1,3-thiazole
CID 174340239
4-[4-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1,3-thiazol-2-yl]morpholine
CID 17443525
5-cyclopropyl-3-(2,6-dichlorophenyl)-4-[[(1R,5S)-8-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-8-azabicyclo[3.2.1]octan-3-yl]oxymethyl]-1,2-oxazole
CID 155631346
4-[4-(3-fluoro-4-pyridinyl)-1,3-thiazol-2-yl]morpholine
CID 122154747
8-(6-fluoropyrazin-2-yl)-3-oxa-8-azabicyclo[3.2.1]octane
CID 164653493
methyl 4-[2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-1,3-thiazol-4-yl]-3-fluorobenzoate
CID 155631340
4-[4-[2-(6-chloropyridazin-3-yl)oxy-3,4-difluorophenyl]-1,3-thiazol-2-yl]morpholine
CID 167513296
2,3-dimethyl-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)aniline
CID 167513347
N-[2-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]piperidin-4-yl]acetamide;hydrochloride
CID 172547175
[1-[6-[2,3-difluoro-6-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenoxy]pyridazin-3-yl]piperidin-4-yl]methanol
CID 167513301

Frequently Asked Questions

What is the IUPAC name of 8-[4-(3,4-difluoro-2-methylphenyl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[4-(3,4-difluoro-2-methylphenyl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane (CID 167513128) is 8-[4-(3,4-difluoro-2-methylphenyl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[4-(3,4-difluoro-2-methylphenyl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[4-(3,4-difluoro-2-methylphenyl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane is Cc1c(-c2csc(N3C4CCC3COC4)n2)ccc(F)c1F.
What is the InChIKey of 8-[4-(3,4-difluoro-2-methylphenyl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
The InChIKey is UEZURPWFZVXNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2OS/c1-9-12(4-5-13(17)15(9)18)14-8-22-16(19-14)20-10-2-3-11(20)7-21-6-10/h4-5,8,10-11H,2-3,6-7H2,1H3.
What are the key properties of 8-[4-(3,4-difluoro-2-methylphenyl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane?
8-[4-(3,4-difluoro-2-methylphenyl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane has a molecular weight of 322.38 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(3,4-difluoro-2-methylphenyl)-1,3-thiazol-2-yl]-3-oxa-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 167513128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).