1-[(3-methoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)benzotriazole-5-carboxamide

C18H15N5O2S — CID 20973184

IUPAC1-[(3-methoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)benzotriazole-5-carboxamide
SMILESCOc1cccc(Cn2nnc3cc(C(=O)Nc4nccs4)ccc32)c1
InChIInChI=1S/C18H15N5O2S/c1-25-14-4-2-3-12(9-14)11-23-16-6-5-13(10-15(16)21-22-23)17(24)20-18-19-7-8-26-18/h2-10H,11H2,1H3,(H,19,20,24)
InChIKeyWYVUCXDXRWDANS-UHFFFAOYSA-N
MW365.42 g/mol
LogP3.20
Rot. Bonds5

About 1-[(3-methoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)benzotriazole-5-carboxamide

1-[(3-methoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)benzotriazole-5-carboxamide (PubChem CID 20973184) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)benzotriazole-5-carboxamide.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)benzotriazole-5-carboxamide
PubChem CID20973184
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name1-[(3-methoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)benzotriazole-5-carboxamide
SMILESCOc1cccc(Cn2nnc3cc(C(=O)Nc4nccs4)ccc32)c1
InChIInChI=1S/C18H15N5O2S/c1-25-14-4-2-3-12(9-14)11-23-16-6-5-13(10-15(16)21-22-23)17(24)20-18-19-7-8-26-18/h2-10H,11H2,1H3,(H,19,20,24)
InChIKeyWYVUCXDXRWDANS-UHFFFAOYSA-N
XLogP3.20
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(3-methoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)benzotriazole-5-carboxamide 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

N-(3,4-dimethoxyphenyl)-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53085132
1-[(3-methoxyphenyl)methyl]-N-(pyridin-2-ylmethyl)benzotriazole-5-carboxamide
CID 53199623
N-cyclohexyl-1-[(3-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111392
1-[(3-methoxyphenyl)methyl]-N-(3-methylsulfanylphenyl)benzotriazole-5-carboxamide
CID 53111371
1-[(3-methoxyphenyl)methyl]-N-(2-piperidin-1-ylethyl)benzotriazole-5-carboxamide
CID 53111369
[1-[(3-methoxyphenyl)methyl]benzotriazol-5-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 53111343
N-(4-acetylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111154
N-(2-ethylphenyl)-1-[(4-methoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 53111169
4-(benzotriazol-1-ylmethyl)-N-[(3-methoxyphenyl)methyl]benzamide
CID 9088195
1-[(3-methoxyphenyl)methoxy]-2-oxo-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 110382401
N-[(3-methoxyphenyl)methyl]-4-[(4-oxothieno[3,2-d]triazin-3-yl)methyl]benzamide
CID 22588506
N-[(4-methoxyphenyl)methyl]-1-[(4-methylphenyl)methyl]benzotriazole-5-carboxamide
CID 53111468

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)benzotriazole-5-carboxamide?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)benzotriazole-5-carboxamide (CID 20973184) is 1-[(3-methoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)benzotriazole-5-carboxamide.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)benzotriazole-5-carboxamide?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)benzotriazole-5-carboxamide is COc1cccc(Cn2nnc3cc(C(=O)Nc4nccs4)ccc32)c1.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)benzotriazole-5-carboxamide?
The InChIKey is WYVUCXDXRWDANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-25-14-4-2-3-12(9-14)11-23-16-6-5-13(10-15(16)21-22-23)17(24)20-18-19-7-8-26-18/h2-10H,11H2,1H3,(H,19,20,24).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)benzotriazole-5-carboxamide?
1-[(3-methoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)benzotriazole-5-carboxamide has a molecular weight of 365.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-N-(1,3-thiazol-2-yl)benzotriazole-5-carboxamide is sourced from PubChem (CID 20973184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).