1-(5-chloro-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine

C5H8ClN3S — CID 63383712

IUPAC1-(5-chloro-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1nnc(Cl)s1
InChIInChI=1S/C5H8ClN3S/c1-9(2)3-4-7-8-5(6)10-4/h3H2,1-2H3
InChIKeyAGXGUZHUTHMWEI-UHFFFAOYSA-N
MW177.66 g/mol
LogP1.25
Rot. Bonds2

About 1-(5-chloro-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine

1-(5-chloro-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine (PubChem CID 63383712) has the molecular formula C5H8ClN3S and a molecular weight of 177.66 g/mol. Its IUPAC name is 1-(5-chloro-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-(5-chloro-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine
PubChem CID63383712
Molecular FormulaC5H8ClN3S
Molecular Weight177.66 g/mol
Exact Mass177.01
IUPAC Name1-(5-chloro-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine
SMILESCN(C)Cc1nnc(Cl)s1
InChIInChI=1S/C5H8ClN3S/c1-9(2)3-4-7-8-5(6)10-4/h3H2,1-2H3
InChIKeyAGXGUZHUTHMWEI-UHFFFAOYSA-N
XLogP1.25
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.66
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine?
The IUPAC name of 1-(5-chloro-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine (CID 63383712) is 1-(5-chloro-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine.
What is the SMILES notation for 1-(5-chloro-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine?
The canonical SMILES for 1-(5-chloro-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine is CN(C)Cc1nnc(Cl)s1.
What is the InChIKey of 1-(5-chloro-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine?
The InChIKey is AGXGUZHUTHMWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3S/c1-9(2)3-4-7-8-5(6)10-4/h3H2,1-2H3.
What are the key properties of 1-(5-chloro-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine?
1-(5-chloro-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine has a molecular weight of 177.66 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3,4-thiadiazol-2-yl)-N,N-dimethylmethanamine is sourced from PubChem (CID 63383712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).