3-[1-[(4-phenyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]phenol

C18H14N4OS — CID 56722432

IUPAC3-[1-[(4-phenyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]phenol
SMILESOc1cccc(-c2cn(Cc3scnc3-c3ccccc3)nn2)c1
InChIInChI=1S/C18H14N4OS/c23-15-8-4-7-14(9-15)16-10-22(21-20-16)11-17-18(19-12-24-17)13-5-2-1-3-6-13/h1-10,12,23H,11H2
InChIKeyDSNBEHRUUYPTTK-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.82
Rot. Bonds4

About 3-[1-[(4-phenyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]phenol

3-[1-[(4-phenyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]phenol (PubChem CID 56722432) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-[1-[(4-phenyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]phenol.

Molecular Properties

Compound Name3-[1-[(4-phenyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]phenol
PubChem CID56722432
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name3-[1-[(4-phenyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]phenol
SMILESOc1cccc(-c2cn(Cc3scnc3-c3ccccc3)nn2)c1
InChIInChI=1S/C18H14N4OS/c23-15-8-4-7-14(9-15)16-10-22(21-20-16)11-17-18(19-12-24-17)13-5-2-1-3-6-13/h1-10,12,23H,11H2
InChIKeyDSNBEHRUUYPTTK-UHFFFAOYSA-N
XLogP3.82
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(4-phenyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]phenol?
The IUPAC name of 3-[1-[(4-phenyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]phenol (CID 56722432) is 3-[1-[(4-phenyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]phenol.
What is the SMILES notation for 3-[1-[(4-phenyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]phenol?
The canonical SMILES for 3-[1-[(4-phenyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]phenol is Oc1cccc(-c2cn(Cc3scnc3-c3ccccc3)nn2)c1.
What is the InChIKey of 3-[1-[(4-phenyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]phenol?
The InChIKey is DSNBEHRUUYPTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c23-15-8-4-7-14(9-15)16-10-22(21-20-16)11-17-18(19-12-24-17)13-5-2-1-3-6-13/h1-10,12,23H,11H2.
What are the key properties of 3-[1-[(4-phenyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]phenol?
3-[1-[(4-phenyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]phenol has a molecular weight of 334.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(4-phenyl-1,3-thiazol-5-yl)methyl]triazol-4-yl]phenol is sourced from PubChem (CID 56722432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).