2-[5-[[(1R)-2-fluorocyclohexyl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol

C18H20FN5OS — CID 165028539

IUPAC2-[5-[[(1R)-2-fluorocyclohexyl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCN(c1nnc(-c2ccc(-c3cn[nH]c3)cc2O)s1)[C@@H]1CCCCC1F
InChIInChI=1S/C18H20FN5OS/c1-24(15-5-3-2-4-14(15)19)18-23-22-17(26-18)13-7-6-11(8-16(13)25)12-9-20-21-10-12/h6-10,14-15,25H,2-5H2,1H3,(H,20,21)/t14?,15-/m1/s1
InChIKeyMGVCKVSJSOYOAE-YSSOQSIOSA-N
MW373.46 g/mol
LogP4.02
Rot. Bonds4

About 2-[5-[[(1R)-2-fluorocyclohexyl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol

2-[5-[[(1R)-2-fluorocyclohexyl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol (PubChem CID 165028539) has the molecular formula C18H20FN5OS and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[5-[[(1R)-2-fluorocyclohexyl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-[5-[[(1R)-2-fluorocyclohexyl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol
PubChem CID165028539
Molecular FormulaC18H20FN5OS
Molecular Weight373.46 g/mol
Exact Mass373.14
IUPAC Name2-[5-[[(1R)-2-fluorocyclohexyl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol
SMILESCN(c1nnc(-c2ccc(-c3cn[nH]c3)cc2O)s1)[C@@H]1CCCCC1F
InChIInChI=1S/C18H20FN5OS/c1-24(15-5-3-2-4-14(15)19)18-23-22-17(26-18)13-7-6-11(8-16(13)25)12-9-20-21-10-12/h6-10,14-15,25H,2-5H2,1H3,(H,20,21)/t14?,15-/m1/s1
InChIKeyMGVCKVSJSOYOAE-YSSOQSIOSA-N
XLogP4.02
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 154676221
2-[5-[[(1R,2R,3S,5S)-2-fluoro-9-azabicyclo[3.3.1]nonan-3-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 154676227
2-[5-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol
CID 155047490
4-fluoro-2-[5-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1-methylpyrazol-4-yl)phenol
CID 162656977
2-[5-[[(1S,2S,3R,5R)-2-fluoro-8-azabicyclo[3.2.1]octan-3-yl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-[1-(fluoromethyl)pyrazol-4-yl]phenol
CID 162668774
5-[2-methoxy-4-(1H-pyrazol-4-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
CID 90282441
3,4-Difluoro-2-(5-(methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)-1,3,4-thiadiazol-2-yl)-5-(1H-pyrazol-4-yl)phenol
CID 136242969
2-(5-(Methyl(2,2,6,6-tetramethylpiperidin-4-yl)amino)-1,3,4-thiadiazol-2-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenol
CID 136341338
3-fluoro-2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol
CID 136611482
2-[5-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol
CID 136611498
3-Chloro-2-[5-[methyl(2,2,6,6-tetramethyl-4-piperidinyl)amino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol
CID 136611508
5-(2-Fluoro-6-methoxy-4-(1H-pyrazol-4-yl)phenyl)-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
CID 86727158

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[(1R)-2-fluorocyclohexyl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol?
The IUPAC name of 2-[5-[[(1R)-2-fluorocyclohexyl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol (CID 165028539) is 2-[5-[[(1R)-2-fluorocyclohexyl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol.
What is the SMILES notation for 2-[5-[[(1R)-2-fluorocyclohexyl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol?
The canonical SMILES for 2-[5-[[(1R)-2-fluorocyclohexyl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol is CN(c1nnc(-c2ccc(-c3cn[nH]c3)cc2O)s1)[C@@H]1CCCCC1F.
What is the InChIKey of 2-[5-[[(1R)-2-fluorocyclohexyl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol?
The InChIKey is MGVCKVSJSOYOAE-YSSOQSIOSA-N. The full InChI is InChI=1S/C18H20FN5OS/c1-24(15-5-3-2-4-14(15)19)18-23-22-17(26-18)13-7-6-11(8-16(13)25)12-9-20-21-10-12/h6-10,14-15,25H,2-5H2,1H3,(H,20,21)/t14?,15-/m1/s1.
What are the key properties of 2-[5-[[(1R)-2-fluorocyclohexyl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol?
2-[5-[[(1R)-2-fluorocyclohexyl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol has a molecular weight of 373.46 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[(1R)-2-fluorocyclohexyl]-methylamino]-1,3,4-thiadiazol-2-yl]-5-(1H-pyrazol-4-yl)phenol is sourced from PubChem (CID 165028539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).