2,4,5-trimethyl-6-[[5-(4-phenylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyridin-3-ol

C22H20N4OS — CID 139565707

IUPAC2,4,5-trimethyl-6-[[5-(4-phenylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyridin-3-ol
SMILESCc1nc(Nc2nnc(-c3ccc(-c4ccccc4)cc3)s2)c(C)c(C)c1O
InChIInChI=1S/C22H20N4OS/c1-13-14(2)20(23-15(3)19(13)27)24-22-26-25-21(28-22)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,27H,1-3H3,(H,23,24,26)
InChIKeyBFLHXYARJBMNBJ-UHFFFAOYSA-N
MW388.50 g/mol
LogP5.64
Rot. Bonds4

About 2,4,5-trimethyl-6-[[5-(4-phenylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyridin-3-ol

2,4,5-trimethyl-6-[[5-(4-phenylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyridin-3-ol (PubChem CID 139565707) has the molecular formula C22H20N4OS and a molecular weight of 388.50 g/mol. Its IUPAC name is 2,4,5-trimethyl-6-[[5-(4-phenylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyridin-3-ol.

Molecular Properties

Compound Name2,4,5-trimethyl-6-[[5-(4-phenylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyridin-3-ol
PubChem CID139565707
Molecular FormulaC22H20N4OS
Molecular Weight388.50 g/mol
Exact Mass388.14
IUPAC Name2,4,5-trimethyl-6-[[5-(4-phenylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyridin-3-ol
SMILESCc1nc(Nc2nnc(-c3ccc(-c4ccccc4)cc3)s2)c(C)c(C)c1O
InChIInChI=1S/C22H20N4OS/c1-13-14(2)20(23-15(3)19(13)27)24-22-26-25-21(28-22)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,27H,1-3H3,(H,23,24,26)
InChIKeyBFLHXYARJBMNBJ-UHFFFAOYSA-N
XLogP5.64
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.50
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-6-[[5-(4-phenylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyridin-3-ol?
The IUPAC name of 2,4,5-trimethyl-6-[[5-(4-phenylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyridin-3-ol (CID 139565707) is 2,4,5-trimethyl-6-[[5-(4-phenylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyridin-3-ol.
What is the SMILES notation for 2,4,5-trimethyl-6-[[5-(4-phenylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyridin-3-ol?
The canonical SMILES for 2,4,5-trimethyl-6-[[5-(4-phenylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyridin-3-ol is Cc1nc(Nc2nnc(-c3ccc(-c4ccccc4)cc3)s2)c(C)c(C)c1O.
What is the InChIKey of 2,4,5-trimethyl-6-[[5-(4-phenylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyridin-3-ol?
The InChIKey is BFLHXYARJBMNBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4OS/c1-13-14(2)20(23-15(3)19(13)27)24-22-26-25-21(28-22)18-11-9-17(10-12-18)16-7-5-4-6-8-16/h4-12,27H,1-3H3,(H,23,24,26).
What are the key properties of 2,4,5-trimethyl-6-[[5-(4-phenylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyridin-3-ol?
2,4,5-trimethyl-6-[[5-(4-phenylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyridin-3-ol has a molecular weight of 388.50 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-6-[[5-(4-phenylphenyl)-1,3,4-thiadiazol-2-yl]amino]pyridin-3-ol is sourced from PubChem (CID 139565707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).