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

C7H12ClN3OS — CID 80609186

IUPACN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1nnc(Cl)s1
InChIInChI=1S/C7H12ClN3OS/c1-11(3-4-12-2)5-6-9-10-7(8)13-6/h3-5H2,1-2H3
InChIKeyUKKRYGCOPDLFCM-UHFFFAOYSA-N
MW221.71 g/mol
LogP1.27
Rot. Bonds5

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

N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-N-methylethanamine (PubChem CID 80609186) has the molecular formula C7H12ClN3OS and a molecular weight of 221.71 g/mol. Its IUPAC name is N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-N-methylethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-N-methylethanamine
PubChem CID80609186
Molecular FormulaC7H12ClN3OS
Molecular Weight221.71 g/mol
Exact Mass221.04
IUPAC NameN-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-N-methylethanamine
SMILESCOCCN(C)Cc1nnc(Cl)s1
InChIInChI=1S/C7H12ClN3OS/c1-11(3-4-12-2)5-6-9-10-7(8)13-6/h3-5H2,1-2H3
InChIKeyUKKRYGCOPDLFCM-UHFFFAOYSA-N
XLogP1.27
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-N-methylethanamine?
The IUPAC name of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-N-methylethanamine (CID 80609186) is N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-N-methylethanamine.
What is the SMILES notation for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-N-methylethanamine?
The canonical SMILES for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-N-methylethanamine is COCCN(C)Cc1nnc(Cl)s1.
What is the InChIKey of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-N-methylethanamine?
The InChIKey is UKKRYGCOPDLFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3OS/c1-11(3-4-12-2)5-6-9-10-7(8)13-6/h3-5H2,1-2H3.
What are the key properties of N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-N-methylethanamine?
N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-N-methylethanamine has a molecular weight of 221.71 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2-methoxy-N-methylethanamine is sourced from PubChem (CID 80609186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).