N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine

C7H12ClN3S — CID 43408555

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1nnsc1Cl
InChIInChI=1S/C7H12ClN3S/c1-3-11(4-2)5-6-7(8)12-10-9-6/h3-5H2,1-2H3
InChIKeyBEBXLTONVXAIHX-UHFFFAOYSA-N
MW205.71 g/mol
LogP2.03
Rot. Bonds4

About N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine

N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine (PubChem CID 43408555) has the molecular formula C7H12ClN3S and a molecular weight of 205.71 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine
PubChem CID43408555
Molecular FormulaC7H12ClN3S
Molecular Weight205.71 g/mol
Exact Mass205.04
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1nnsc1Cl
InChIInChI=1S/C7H12ClN3S/c1-3-11(4-2)5-6-7(8)12-10-9-6/h3-5H2,1-2H3
InChIKeyBEBXLTONVXAIHX-UHFFFAOYSA-N
XLogP2.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.71
LogP ≤ 52.03
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]-N-ethylethanamine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine (CID 43408555) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine is CCN(CC)Cc1nnsc1Cl.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine?
The InChIKey is BEBXLTONVXAIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN3S/c1-3-11(4-2)5-6-7(8)12-10-9-6/h3-5H2,1-2H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-ethylethanamine has a molecular weight of 205.71 g/mol, XLogP of 2.03, 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]-N-ethylethanamine is sourced from PubChem (CID 43408555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).