1-(3-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine

C11H11Cl2N3S — CID 47013665

IUPAC1-(3-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1cccc(Cl)c1)Cc1nnsc1Cl
InChIInChI=1S/C11H11Cl2N3S/c1-16(7-10-11(13)17-15-14-10)6-8-3-2-4-9(12)5-8/h2-5H,6-7H2,1H3
InChIKeyRMKBVEUPPXBGDT-UHFFFAOYSA-N
MW288.20 g/mol
LogP3.48
Rot. Bonds4

About 1-(3-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine

1-(3-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine (PubChem CID 47013665) has the molecular formula C11H11Cl2N3S and a molecular weight of 288.20 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine
PubChem CID47013665
Molecular FormulaC11H11Cl2N3S
Molecular Weight288.20 g/mol
Exact Mass287.01
IUPAC Name1-(3-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1cccc(Cl)c1)Cc1nnsc1Cl
InChIInChI=1S/C11H11Cl2N3S/c1-16(7-10-11(13)17-15-14-10)6-8-3-2-4-9(12)5-8/h2-5H,6-7H2,1H3
InChIKeyRMKBVEUPPXBGDT-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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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine (CID 47013665) is 1-(3-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine is CN(Cc1cccc(Cl)c1)Cc1nnsc1Cl.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine?
The InChIKey is RMKBVEUPPXBGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3S/c1-16(7-10-11(13)17-15-14-10)6-8-3-2-4-9(12)5-8/h2-5H,6-7H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine?
1-(3-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-(3-chlorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 47013665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).