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

C15H12Cl2N4S — CID 133467141

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCN(Cc1ccc(Cl)c(Cl)c1)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C15H12Cl2N4S/c1-21(9-10-5-6-11(16)12(17)8-10)15-20-19-14(22-15)13-4-2-3-7-18-13/h2-8H,9H2,1H3
InChIKeyTXZWTHCPYWNCKW-UHFFFAOYSA-N
MW351.26 g/mol
LogP4.54
Rot. Bonds4

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

N-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133467141) has the molecular formula C15H12Cl2N4S and a molecular weight of 351.26 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133467141
Molecular FormulaC15H12Cl2N4S
Molecular Weight351.26 g/mol
Exact Mass350.02
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
SMILESCN(Cc1ccc(Cl)c(Cl)c1)c1nnc(-c2ccccn2)s1
InChIInChI=1S/C15H12Cl2N4S/c1-21(9-10-5-6-11(16)12(17)8-10)15-20-19-14(22-15)13-4-2-3-7-18-13/h2-8H,9H2,1H3
InChIKeyTXZWTHCPYWNCKW-UHFFFAOYSA-N
XLogP4.54
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-bromophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467109
N-[(2,3-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133467107
N-methyl-5-pyridin-2-yl-N-(2-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 133466920
N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133454871
N-methyl-N-(oxolan-3-ylmethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133455197
N-methyl-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133443347
2-ethyl-5-pyridin-2-yl-1,3,4-thiadiazole
CID 101460116
2-methoxy-N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)acetamide
CID 647177
2-chloro-5-[[methyl(pyridin-2-ylmethyl)amino]methyl]aniline
CID 43564662
N-methyl-N-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 654941
N-(2-bromophenyl)-2-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]acetamide
CID 133467116
1-(2-chlorophenyl)-3-[methyl-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one
CID 133454723

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine (CID 133467141) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is CN(Cc1ccc(Cl)c(Cl)c1)c1nnc(-c2ccccn2)s1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is TXZWTHCPYWNCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4S/c1-21(9-10-5-6-11(16)12(17)8-10)15-20-19-14(22-15)13-4-2-3-7-18-13/h2-8H,9H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 351.26 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133467141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).