1-(4-chlorophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine

C11H12ClN3S — CID 105076322

IUPAC1-(4-chlorophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
SMILESCNC(c1ccc(Cl)cc1)c1snnc1C
InChIInChI=1S/C11H12ClN3S/c1-7-11(16-15-14-7)10(13-2)8-3-5-9(12)6-4-8/h3-6,10,13H,1-2H3
InChIKeyGHXRFPBAUBUQLT-UHFFFAOYSA-N
MW253.76 g/mol
LogP2.81
Rot. Bonds3

About 1-(4-chlorophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine

1-(4-chlorophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine (PubChem CID 105076322) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
PubChem CID105076322
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name1-(4-chlorophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
SMILESCNC(c1ccc(Cl)cc1)c1snnc1C
InChIInChI=1S/C11H12ClN3S/c1-7-11(16-15-14-7)10(13-2)8-3-5-9(12)6-4-8/h3-6,10,13H,1-2H3
InChIKeyGHXRFPBAUBUQLT-UHFFFAOYSA-N
XLogP2.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3,4-dichlorophenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine
CID 105281260
N-methyl-1-(4-propan-2-ylphenyl)-1-(4-propan-2-ylthiadiazol-5-yl)methanamine
CID 105144852
1-(4-chlorophenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105076130
N-[(4-methylthiadiazol-5-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 105144821
N-methyl-1-(4-methylthiadiazol-5-yl)-1-(3-methylthiophen-2-yl)methanamine
CID 105166473
N-methyl-1-(4-methylthiadiazol-5-yl)-1-(2-methylthiophen-3-yl)methanamine
CID 102841311
1-(4-tert-butylthiadiazol-5-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 107561888
1-(4-chlorophenyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43481401
[(2-chlorophenyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine
CID 105287302
1-(4-chlorophenyl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 43607978
1-(4-chlorophenyl)-1-(4-iodophenyl)-N-methylmethanamine
CID 43481387
[(6-methyl-3-pyridinyl)-(4-methylthiadiazol-5-yl)methyl]hydrazine
CID 105305420

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine (CID 105076322) is 1-(4-chlorophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine is CNC(c1ccc(Cl)cc1)c1snnc1C.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine?
The InChIKey is GHXRFPBAUBUQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-7-11(16-15-14-7)10(13-2)8-3-5-9(12)6-4-8/h3-6,10,13H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine?
1-(4-chlorophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine has a molecular weight of 253.76 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105076322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).