2-[5-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol

C14H15N7O2S — CID 135549362

IUPAC2-[5-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol
SMILESNc1nc(N2CCOCC2)nn1-c1nnc(-c2ccccc2O)s1
InChIInChI=1S/C14H15N7O2S/c15-12-16-13(20-5-7-23-8-6-20)19-21(12)14-18-17-11(24-14)9-3-1-2-4-10(9)22/h1-4,22H,5-8H2,(H2,15,16,19)
InChIKeyCCJLJAICJVHXST-UHFFFAOYSA-N
MW345.39 g/mol
LogP0.91
Rot. Bonds3

About 2-[5-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol

2-[5-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol (PubChem CID 135549362) has the molecular formula C14H15N7O2S and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-[5-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol.

Molecular Properties

Compound Name2-[5-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol
PubChem CID135549362
Molecular FormulaC14H15N7O2S
Molecular Weight345.39 g/mol
Exact Mass345.10
IUPAC Name2-[5-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol
SMILESNc1nc(N2CCOCC2)nn1-c1nnc(-c2ccccc2O)s1
InChIInChI=1S/C14H15N7O2S/c15-12-16-13(20-5-7-23-8-6-20)19-21(12)14-18-17-11(24-14)9-3-1-2-4-10(9)22/h1-4,22H,5-8H2,(H2,15,16,19)
InChIKeyCCJLJAICJVHXST-UHFFFAOYSA-N
XLogP0.91
TPSA115.21 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[5-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol with MolForge

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Related Compounds

2-[5-(5-amino-3-prop-2-ynylsulfanyl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol
CID 135549360
2-(4-ethoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 107958242
2-(4-bromo-2-methylphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 104508479
2-(3-methoxyphenyl)-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 114797795
2-benzyl-5-morpholin-4-yl-1,2,4-triazol-3-amine
CID 15050995
2-[6-(4-bromophenyl)-2-morpholin-4-ylpyrimidin-4-yl]phenol
CID 1110902
5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 62900378
5-methylsulfanyl-2-[5-[2-(3-piperidin-1-ylpropoxy)phenyl]-1,3,4-thiadiazol-2-yl]-1,2,4-triazol-3-amine
CID 21256944
4-(2-bromophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 115503777
2-(2-amino-4-morpholin-4-ylpteridin-6-yl)phenol
CID 135617046
[2-(2-morpholin-4-ylpyrimidin-4-yl)phenyl]urea
CID 68760220
2-(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)phenol
CID 3068028

Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol?
The IUPAC name of 2-[5-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol (CID 135549362) is 2-[5-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol.
What is the SMILES notation for 2-[5-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol?
The canonical SMILES for 2-[5-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol is Nc1nc(N2CCOCC2)nn1-c1nnc(-c2ccccc2O)s1.
What is the InChIKey of 2-[5-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol?
The InChIKey is CCJLJAICJVHXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2S/c15-12-16-13(20-5-7-23-8-6-20)19-21(12)14-18-17-11(24-14)9-3-1-2-4-10(9)22/h1-4,22H,5-8H2,(H2,15,16,19).
What are the key properties of 2-[5-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol?
2-[5-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol has a molecular weight of 345.39 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-amino-3-morpholin-4-yl-1,2,4-triazol-1-yl)-1,3,4-thiadiazol-2-yl]phenol is sourced from PubChem (CID 135549362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).