N-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine

C6H8ClF2N3S — CID 115611826

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine
SMILESCN(Cc1nnsc1Cl)CC(F)F
InChIInChI=1S/C6H8ClF2N3S/c1-12(3-5(8)9)2-4-6(7)13-11-10-4/h5H,2-3H2,1H3
InChIKeyRDOJGAJMHXKIJP-UHFFFAOYSA-N
MW227.67 g/mol
LogP1.89
Rot. Bonds4

About N-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine

N-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine (PubChem CID 115611826) has the molecular formula C6H8ClF2N3S and a molecular weight of 227.67 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine
PubChem CID115611826
Molecular FormulaC6H8ClF2N3S
Molecular Weight227.67 g/mol
Exact Mass227.01
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine
SMILESCN(Cc1nnsc1Cl)CC(F)F
InChIInChI=1S/C6H8ClF2N3S/c1-12(3-5(8)9)2-4-6(7)13-11-10-4/h5H,2-3H2,1H3
InChIKeyRDOJGAJMHXKIJP-UHFFFAOYSA-N
XLogP1.89
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.67
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine (CID 115611826) is N-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine is CN(Cc1nnsc1Cl)CC(F)F.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine?
The InChIKey is RDOJGAJMHXKIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF2N3S/c1-12(3-5(8)9)2-4-6(7)13-11-10-4/h5H,2-3H2,1H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine?
N-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine has a molecular weight of 227.67 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 115611826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).