1-(2-chloro-6-fluorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine

C11H10Cl2FN3S — CID 47013667

IUPAC1-(2-chloro-6-fluorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1nnsc1Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H10Cl2FN3S/c1-17(6-10-11(13)18-16-15-10)5-7-8(12)3-2-4-9(7)14/h2-4H,5-6H2,1H3
InChIKeyWMVYJAHLSVXKRQ-UHFFFAOYSA-N
MW306.19 g/mol
LogP3.62
Rot. Bonds4

About 1-(2-chloro-6-fluorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine

1-(2-chloro-6-fluorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine (PubChem CID 47013667) has the molecular formula C11H10Cl2FN3S and a molecular weight of 306.19 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine
PubChem CID47013667
Molecular FormulaC11H10Cl2FN3S
Molecular Weight306.19 g/mol
Exact Mass305.00
IUPAC Name1-(2-chloro-6-fluorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine
SMILESCN(Cc1nnsc1Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C11H10Cl2FN3S/c1-17(6-10-11(13)18-16-15-10)5-7-8(12)3-2-4-9(7)14/h2-4H,5-6H2,1H3
InChIKeyWMVYJAHLSVXKRQ-UHFFFAOYSA-N
XLogP3.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine (CID 47013667) is 1-(2-chloro-6-fluorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine is CN(Cc1nnsc1Cl)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine?
The InChIKey is WMVYJAHLSVXKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2FN3S/c1-17(6-10-11(13)18-16-15-10)5-7-8(12)3-2-4-9(7)14/h2-4H,5-6H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine?
1-(2-chloro-6-fluorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine has a molecular weight of 306.19 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-N-[(5-chlorothiadiazol-4-yl)methyl]-N-methylmethanamine is sourced from PubChem (CID 47013667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).