5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine

C20H23N3OS2 — CID 7593762

IUPAC5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(C)cc1CSc1nnc(Nc2ccc(C(C)C)cc2)s1
InChIInChI=1S/C20H23N3OS2/c1-13(2)15-6-8-17(9-7-15)21-19-22-23-20(26-19)25-12-16-11-14(3)5-10-18(16)24-4/h5-11,13H,12H2,1-4H3,(H,21,22)
InChIKeyQZJQCEHVWRHKDE-UHFFFAOYSA-N
MW385.56 g/mol
LogP6.01
Rot. Bonds7

About 5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine

5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine (PubChem CID 7593762) has the molecular formula C20H23N3OS2 and a molecular weight of 385.56 g/mol. Its IUPAC name is 5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine
PubChem CID7593762
Molecular FormulaC20H23N3OS2
Molecular Weight385.56 g/mol
Exact Mass385.13
IUPAC Name5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine
SMILESCOc1ccc(C)cc1CSc1nnc(Nc2ccc(C(C)C)cc2)s1
InChIInChI=1S/C20H23N3OS2/c1-13(2)15-6-8-17(9-7-15)21-19-22-23-20(26-19)25-12-16-11-14(3)5-10-18(16)24-4/h5-11,13H,12H2,1-4H3,(H,21,22)
InChIKeyQZJQCEHVWRHKDE-UHFFFAOYSA-N
XLogP6.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.56
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-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

5-[(2,5-dimethoxyphenyl)methylsulfanyl]-N-phenyl-1,3,4-thiadiazol-2-amine
CID 8848932
N-(4-methoxyphenyl)-5-[(4-propan-2-ylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 7863691
2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazole
CID 7629636
N-(4-methylphenyl)-5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 1301810
N-(4-ethylphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 7891175
5-[(2-fluorophenyl)methylsulfanyl]-N-(4-methylphenyl)-1,3,4-thiadiazol-2-amine
CID 2589084
methyl 2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
CID 2589094
N-(3,4-dimethylphenyl)-5-[(3-fluoro-4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 7754122
N-cyclopropyl-5-[(2,5-dimethoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 35179632
N-[(2-methoxyphenyl)methyl]-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 55417120
N-(4-chloro-2,5-dimethoxyphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 55467963
N,N-dimethyl-2-[[5-(4-propan-2-ylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 8911338

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine (CID 7593762) is 5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine is COc1ccc(C)cc1CSc1nnc(Nc2ccc(C(C)C)cc2)s1.
What is the InChIKey of 5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is QZJQCEHVWRHKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS2/c1-13(2)15-6-8-17(9-7-15)21-19-22-23-20(26-19)25-12-16-11-14(3)5-10-18(16)24-4/h5-11,13H,12H2,1-4H3,(H,21,22).
What are the key properties of 5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine?
5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 385.56 g/mol, XLogP of 6.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxy-5-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 7593762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).