5-[3-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile

C19H13N5OS — CID 122479662

IUPAC5-[3-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1cccc(OCc2cccc(-c3nccs3)c2)c1
InChIInChI=1S/C19H13N5OS/c20-11-17-18(23-24-22-17)14-4-2-6-16(10-14)25-12-13-3-1-5-15(9-13)19-21-7-8-26-19/h1-10H,12H2,(H,22,23,24)
InChIKeyOZPSAXITLKZOAX-UHFFFAOYSA-N
MW359.41 g/mol
LogP4.05
Rot. Bonds5

About 5-[3-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile

5-[3-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile (PubChem CID 122479662) has the molecular formula C19H13N5OS and a molecular weight of 359.41 g/mol. Its IUPAC name is 5-[3-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-[3-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile
PubChem CID122479662
Molecular FormulaC19H13N5OS
Molecular Weight359.41 g/mol
Exact Mass359.08
IUPAC Name5-[3-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1cccc(OCc2cccc(-c3nccs3)c2)c1
InChIInChI=1S/C19H13N5OS/c20-11-17-18(23-24-22-17)14-4-2-6-16(10-14)25-12-13-3-1-5-15(9-13)19-21-7-8-26-19/h1-10H,12H2,(H,22,23,24)
InChIKeyOZPSAXITLKZOAX-UHFFFAOYSA-N
XLogP4.05
TPSA87.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-[(3,5-dimethylphenoxy)methyl]phenyl]-2H-triazole-4-carbonitrile
CID 122479502
5-[3-[(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)oxymethyl]phenyl]-2H-triazole-4-carbonitrile
CID 170147881
5-[3-[(2,6-difluorophenyl)methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122477779
5-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479656
5-[3-[(4-methylsulfonylphenyl)methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479650
5-[3-[(1-benzylpyrazol-4-yl)methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479682
5-(3-pyrimidin-2-yloxyphenyl)-2H-triazole-4-carbonitrile
CID 122478168
5-[3-[(5-chloro-2-methylphenyl)methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479674
5-[3-[(5-methyl-2-phenylfuran-3-yl)methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479671
5-[3-[(1,3,3-trimethyl-2-oxoindol-5-yl)oxymethyl]phenyl]-2H-triazole-4-carbonitrile
CID 122479529
5-[3-[(1,5-dimethylpyrazol-3-yl)methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479642
5-[3-(trifluoromethyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122477616

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile?
The IUPAC name of 5-[3-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile (CID 122479662) is 5-[3-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-[3-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-[3-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile is N#Cc1n[nH]nc1-c1cccc(OCc2cccc(-c3nccs3)c2)c1.
What is the InChIKey of 5-[3-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile?
The InChIKey is OZPSAXITLKZOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5OS/c20-11-17-18(23-24-22-17)14-4-2-6-16(10-14)25-12-13-3-1-5-15(9-13)19-21-7-8-26-19/h1-10H,12H2,(H,22,23,24).
What are the key properties of 5-[3-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile?
5-[3-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile has a molecular weight of 359.41 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[3-(1,3-thiazol-2-yl)phenyl]methoxy]phenyl]-2H-triazole-4-carbonitrile is sourced from PubChem (CID 122479662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).