6-[4-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]oxypyridine-3-carbonitrile

C21H20FN5OS — CID 133452097

IUPAC6-[4-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CCC(Nc3nnc(Cc4ccccc4F)s3)CC2)nc1
InChIInChI=1S/C21H20FN5OS/c22-18-4-2-1-3-15(18)11-20-26-27-21(29-20)25-16-6-8-17(9-7-16)28-19-10-5-14(12-23)13-24-19/h1-5,10,13,16-17H,6-9,11H2,(H,25,27)
InChIKeyJLARUCXLPCQCIQ-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.34
Rot. Bonds6

About 6-[4-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]oxypyridine-3-carbonitrile

6-[4-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]oxypyridine-3-carbonitrile (PubChem CID 133452097) has the molecular formula C21H20FN5OS and a molecular weight of 409.49 g/mol. Its IUPAC name is 6-[4-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]oxypyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]oxypyridine-3-carbonitrile
PubChem CID133452097
Molecular FormulaC21H20FN5OS
Molecular Weight409.49 g/mol
Exact Mass409.14
IUPAC Name6-[4-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]oxypyridine-3-carbonitrile
SMILESN#Cc1ccc(OC2CCC(Nc3nnc(Cc4ccccc4F)s3)CC2)nc1
InChIInChI=1S/C21H20FN5OS/c22-18-4-2-1-3-15(18)11-20-26-27-21(29-20)25-16-6-8-17(9-7-16)28-19-10-5-14(12-23)13-24-19/h1-5,10,13,16-17H,6-9,11H2,(H,25,27)
InChIKeyJLARUCXLPCQCIQ-UHFFFAOYSA-N
XLogP4.34
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]oxypyridine-3-carbonitrile with MolForge

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-5-(2-phenoxy-3-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 2797733
1-(2-Fluoro-4-propan-2-yloxyphenyl)-3-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)urea
CID 166962842
N-[(2-cyclobutyloxy-4-pyridinyl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 84600140
N-butyl-N-[(2-fluorophenyl)methyl]-5-(2-methoxy-4-pyridinyl)-1,3,4-thiadiazol-2-amine
CID 53241276
5-[2-(pyridin-4-ylmethoxy)phenyl]-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 143729296
5-[2-(pyridin-2-ylmethoxy)phenyl]-N-[4-(trifluoromethoxy)phenyl]-1,3,4-thiadiazol-2-amine
CID 143729323
5-[2-[(2-fluoro-4-pyridinyl)methoxy]phenyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 143729363
5-[2-(pyridin-4-ylmethoxy)phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3,4-thiadiazol-2-amine
CID 143729372
1-(4-Propan-2-yloxyphenyl)-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
CID 172103984
5-[2-(2-fluoro-4-pyridinyl)-3-methoxyphenyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 24960472
1-[2-(2-Fluorophenoxy)-1-phenylethyl]-3-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)urea
CID 55836068
1-(5-Cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 55995658

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]oxypyridine-3-carbonitrile?
The IUPAC name of 6-[4-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]oxypyridine-3-carbonitrile (CID 133452097) is 6-[4-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]oxypyridine-3-carbonitrile.
What is the SMILES notation for 6-[4-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]oxypyridine-3-carbonitrile?
The canonical SMILES for 6-[4-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]oxypyridine-3-carbonitrile is N#Cc1ccc(OC2CCC(Nc3nnc(Cc4ccccc4F)s3)CC2)nc1.
What is the InChIKey of 6-[4-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]oxypyridine-3-carbonitrile?
The InChIKey is JLARUCXLPCQCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5OS/c22-18-4-2-1-3-15(18)11-20-26-27-21(29-20)25-16-6-8-17(9-7-16)28-19-10-5-14(12-23)13-24-19/h1-5,10,13,16-17H,6-9,11H2,(H,25,27).
What are the key properties of 6-[4-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]oxypyridine-3-carbonitrile?
6-[4-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]oxypyridine-3-carbonitrile has a molecular weight of 409.49 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]oxypyridine-3-carbonitrile is sourced from PubChem (CID 133452097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).