3-[(2-chlorophenyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine

C24H23ClN4O2S — CID 1017030

IUPAC3-[(2-chlorophenyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine
SMILESCOc1cc(CNn2cnnc2SCc2ccccc2Cl)ccc1OCc1ccccc1
InChIInChI=1S/C24H23ClN4O2S/c1-30-23-13-19(11-12-22(23)31-15-18-7-3-2-4-8-18)14-27-29-17-26-28-24(29)32-16-20-9-5-6-10-21(20)25/h2-13,17,27H,14-16H2,1H3
InChIKeyUAWWUTNVXLANNE-UHFFFAOYSA-N
MW466.99 g/mol
LogP5.56
Rot. Bonds10

About 3-[(2-chlorophenyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine

3-[(2-chlorophenyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine (PubChem CID 1017030) has the molecular formula C24H23ClN4O2S and a molecular weight of 466.99 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine
PubChem CID1017030
Molecular FormulaC24H23ClN4O2S
Molecular Weight466.99 g/mol
Exact Mass466.12
IUPAC Name3-[(2-chlorophenyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine
SMILESCOc1cc(CNn2cnnc2SCc2ccccc2Cl)ccc1OCc1ccccc1
InChIInChI=1S/C24H23ClN4O2S/c1-30-23-13-19(11-12-22(23)31-15-18-7-3-2-4-8-18)14-27-29-17-26-28-24(29)32-16-20-9-5-6-10-21(20)25/h2-13,17,27H,14-16H2,1H3
InChIKeyUAWWUTNVXLANNE-UHFFFAOYSA-N
XLogP5.56
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.99
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(2-chlorophenyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine 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-[[4-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 19644648
2-[2-chloro-4-[[[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]amino]methyl]-6-methoxyphenoxy]acetamide
CID 19644434
N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 19644376
N-[(3-ethoxy-2-phenylmethoxyphenyl)methyl]-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 1017300
N-[(2-chloro-4,5-dimethoxyphenyl)methyl]-1-(3-methoxy-4-phenylmethoxyphenyl)methanamine
CID 54855533
N-[[4-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1,2,4-triazol-4-amine
CID 1273419
(Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(3,4-dimethoxyphenyl)methanimine
CID 7574946
3-[(2-chlorophenyl)methylsulfanyl]-5-[(2-methoxy-4-methylphenoxy)methyl]-4-phenyl-1,2,4-triazole
CID 3945539
(E)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methanimine
CID 20998082
(Z)-N-[3-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(4-ethoxy-3-methoxyphenyl)methanimine
CID 7574931
N-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]ethanamine
CID 4716490
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-amine
CID 1017301

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine?
The IUPAC name of 3-[(2-chlorophenyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine (CID 1017030) is 3-[(2-chlorophenyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-[(2-chlorophenyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine?
The canonical SMILES for 3-[(2-chlorophenyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine is COc1cc(CNn2cnnc2SCc2ccccc2Cl)ccc1OCc1ccccc1.
What is the InChIKey of 3-[(2-chlorophenyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine?
The InChIKey is UAWWUTNVXLANNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2S/c1-30-23-13-19(11-12-22(23)31-15-18-7-3-2-4-8-18)14-27-29-17-26-28-24(29)32-16-20-9-5-6-10-21(20)25/h2-13,17,27H,14-16H2,1H3.
What are the key properties of 3-[(2-chlorophenyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine?
3-[(2-chlorophenyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine has a molecular weight of 466.99 g/mol, XLogP of 5.56, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methylsulfanyl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 1017030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).