5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine

C10H9Cl2N3S — CID 13272859

IUPAC5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C10H9Cl2N3S/c1-13-10-15-14-9(16-10)4-6-2-3-7(11)5-8(6)12/h2-3,5H,4H2,1H3,(H,13,15)
InChIKeyLUKOARWNORYQFO-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.48
Rot. Bonds3

About 5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine

5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 13272859) has the molecular formula C10H9Cl2N3S and a molecular weight of 274.18 g/mol. Its IUPAC name is 5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
PubChem CID13272859
Molecular FormulaC10H9Cl2N3S
Molecular Weight274.18 g/mol
Exact Mass272.99
IUPAC Name5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
SMILESCNc1nnc(Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C10H9Cl2N3S/c1-13-10-15-14-9(16-10)4-6-2-3-7(11)5-8(6)12/h2-3,5H,4H2,1H3,(H,13,15)
InChIKeyLUKOARWNORYQFO-UHFFFAOYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2,4-dichlorophenyl)methyl]-N-methyl-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

N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 711646
N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-2-(methanesulfonamido)acetamide
CID 157016593
N-[5-[(2,4-dichlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-4-fluorobenzamide
CID 2258431
2,4-dichloro-N-[5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 46701648
5-[(4-chloro-2-methylphenyl)methyl]-1,3,4-thiadiazol-2-amine
CID 23463071
1-(2,4-dichlorophenyl)-N-methylmethanamine;ethane
CID 142839755
5-[(4-chloro-3-fluorophenoxy)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 82716920
2,4-dichloro-N-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 1251878
2-(4-chlorophenyl)-N-[5-[4-[5-(methylamino)-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 139565335
N-[(2,4-dichlorophenyl)methyl]-5-ethylsulfanyl-1,3,4-thiadiazol-2-amine
CID 110826684
5-bromo-N-[2-(2,4-dichlorophenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64625293
5-[[1-(3-chlorophenyl)ethyl-methylamino]methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 80607260

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine (CID 13272859) is 5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is CNc1nnc(Cc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is LUKOARWNORYQFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3S/c1-13-10-15-14-9(16-10)4-6-2-3-7(11)5-8(6)12/h2-3,5H,4H2,1H3,(H,13,15).
What are the key properties of 5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine?
5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 274.18 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dichlorophenyl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 13272859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).