N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine

C6H10ClN3S — CID 80609750

IUPACN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine
SMILESCCN(C)Cc1nnc(Cl)s1
InChIInChI=1S/C6H10ClN3S/c1-3-10(2)4-5-8-9-6(7)11-5/h3-4H2,1-2H3
InChIKeyQKBGHIWNZICTHR-UHFFFAOYSA-N
MW191.69 g/mol
LogP1.64
Rot. Bonds3

About N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine

N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine (PubChem CID 80609750) has the molecular formula C6H10ClN3S and a molecular weight of 191.69 g/mol. Its IUPAC name is N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine
PubChem CID80609750
Molecular FormulaC6H10ClN3S
Molecular Weight191.69 g/mol
Exact Mass191.03
IUPAC NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine
SMILESCCN(C)Cc1nnc(Cl)s1
InChIInChI=1S/C6H10ClN3S/c1-3-10(2)4-5-8-9-6(7)11-5/h3-4H2,1-2H3
InChIKeyQKBGHIWNZICTHR-UHFFFAOYSA-N
XLogP1.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.69
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine?
The IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine (CID 80609750) is N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine.
What is the SMILES notation for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine?
The canonical SMILES for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine is CCN(C)Cc1nnc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine?
The InChIKey is QKBGHIWNZICTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3S/c1-3-10(2)4-5-8-9-6(7)11-5/h3-4H2,1-2H3.
What are the key properties of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine?
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine has a molecular weight of 191.69 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylethanamine is sourced from PubChem (CID 80609750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).