4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole

C19H17N3O3S — CID 118417870

IUPAC4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole
SMILESCOc1cc(-c2n[nH]nc2-c2cc3ccccc3s2)cc(OC)c1OC
InChIInChI=1S/C19H17N3O3S/c1-23-13-8-12(9-14(24-2)19(13)25-3)17-18(21-22-20-17)16-10-11-6-4-5-7-15(11)26-16/h4-10H,1-3H3,(H,20,21,22)
InChIKeyBRLUAAQOZJIAFC-UHFFFAOYSA-N
MW367.43 g/mol
LogP4.38
Rot. Bonds5

About 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole

4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole (PubChem CID 118417870) has the molecular formula C19H17N3O3S and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole.

Molecular Properties

Compound Name4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole
PubChem CID118417870
Molecular FormulaC19H17N3O3S
Molecular Weight367.43 g/mol
Exact Mass367.10
IUPAC Name4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole
SMILESCOc1cc(-c2n[nH]nc2-c2cc3ccccc3s2)cc(OC)c1OC
InChIInChI=1S/C19H17N3O3S/c1-23-13-8-12(9-14(24-2)19(13)25-3)17-18(21-22-20-17)16-10-11-6-4-5-7-15(11)26-16/h4-10H,1-3H3,(H,20,21,22)
InChIKeyBRLUAAQOZJIAFC-UHFFFAOYSA-N
XLogP4.38
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(7-methoxy-1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1H-1,2,3-triazole
CID 73334659
4-(4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1H-1,2,3-triazole
CID 59430402
4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrazole
CID 155544643
4-(1-benzothiophen-2-yl)-5-(3,5-dimethoxyphenyl)-2H-triazole
CID 118417892
4-(1,3-benzodioxol-5-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 118418033
4-(1-benzothiophen-3-yl)-5-(3,4-dimethoxyphenyl)-2H-triazole
CID 122372469
4-(Benzo[b]thiophen-2-yl)-2-methyl-5-(3,4,5-trimethoxyphenyl)-2H-1,2,3-triazole
CID 127036247
4-(1,3-benzodioxol-5-yl)-5-[(3,4,5-trimethoxyphenyl)methyl]-2H-triazole
CID 66572958
5-[3-(1-benzothiophen-2-ylmethoxy)-5-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile
CID 122478191
4-(3,4-dimethoxyphenyl)-5-(5-fluoro-6-methyl-1-benzothiophen-2-yl)-2H-triazole
CID 124195102
4-(5-fluoro-6-methyl-1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole
CID 124195104
4-(5-fluoro-6-methyl-1-benzothiophen-2-yl)-5-(3-methoxyphenyl)-2H-triazole
CID 124195106

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole?
The IUPAC name of 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole (CID 118417870) is 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole.
What is the SMILES notation for 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole?
The canonical SMILES for 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole is COc1cc(-c2n[nH]nc2-c2cc3ccccc3s2)cc(OC)c1OC.
What is the InChIKey of 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole?
The InChIKey is BRLUAAQOZJIAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3S/c1-23-13-8-12(9-14(24-2)19(13)25-3)17-18(21-22-20-17)16-10-11-6-4-5-7-15(11)26-16/h4-10H,1-3H3,(H,20,21,22).
What are the key properties of 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole?
4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole has a molecular weight of 367.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzothiophen-2-yl)-5-(3,4,5-trimethoxyphenyl)-2H-triazole is sourced from PubChem (CID 118417870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).