1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine

C11H11Cl2N3S — CID 47013669

IUPAC1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(Cl)cc1)Cc1nnsc1Cl
InChIInChI=1S/C11H11Cl2N3S/c1-16(7-10-11(13)17-15-14-10)6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChIKeyLIDIXLDKUOPKMU-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.48
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine

1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine (PubChem CID 47013669) has the molecular formula C11H11Cl2N3S and a molecular weight of 288.20 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine
PubChem CID47013669
Molecular FormulaC11H11Cl2N3S
Molecular Weight288.20 g/mol
Exact Mass287.01
IUPAC Name1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1ccc(Cl)cc1)Cc1nnsc1Cl
InChIInChI=1S/C11H11Cl2N3S/c1-16(7-10-11(13)17-15-14-10)6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3
InChIKeyLIDIXLDKUOPKMU-UHFFFAOYSA-N
XLogP3.48
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(4-chlorophenyl)methyl-methylamino]methyl]-N-ethylthiadiazol-5-amine
CID 62207936
N-[(1-benzylimidazol-2-yl)methyl]-1-(5-chlorothiadiazol-4-yl)-N-methylmethanamine
CID 71988775
2-[(5-chlorothiadiazol-4-yl)methyl-methylamino]acetamide
CID 43625562
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanamine
CID 86983931
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
4-[[(4-bromophenyl)methyl-methylamino]methyl]-N-methylthiadiazol-5-amine
CID 62208650
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine
CID 43408555
4-[[(5-chlorothiadiazol-4-yl)methyl-propylamino]methyl]benzonitrile
CID 47039000
N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylpentan-3-amine
CID 43423611
4-[[benzyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62184109
[(4-chlorophenyl)methyl-methylamino]methanethiol
CID 115228033
[(4-chlorophenyl)methyl-methylamino]methanol
CID 115229095

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine (CID 47013669) is 1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine is CN(Cc1ccc(Cl)cc1)Cc1nnsc1Cl.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine?
The InChIKey is LIDIXLDKUOPKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3S/c1-16(7-10-11(13)17-15-14-10)6-8-2-4-9(12)5-3-8/h2-5H,6-7H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine?
1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine has a molecular weight of 288.20 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 47013669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).