N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine

C9H16ClN3S — CID 43408567

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1nnsc1Cl
InChIInChI=1S/C9H16ClN3S/c1-3-5-13(6-4-2)7-8-9(10)14-12-11-8/h3-7H2,1-2H3
InChIKeyHNEYFQBVZLQDCO-UHFFFAOYSA-N
MW233.77 g/mol
LogP2.81
Rot. Bonds6

About N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine

N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine (PubChem CID 43408567) has the molecular formula C9H16ClN3S and a molecular weight of 233.77 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine
PubChem CID43408567
Molecular FormulaC9H16ClN3S
Molecular Weight233.77 g/mol
Exact Mass233.08
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1nnsc1Cl
InChIInChI=1S/C9H16ClN3S/c1-3-5-13(6-4-2)7-8-9(10)14-12-11-8/h3-7H2,1-2H3
InChIKeyHNEYFQBVZLQDCO-UHFFFAOYSA-N
XLogP2.81
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.77
LogP ≤ 52.81
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-propylpropan-1-amine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine (CID 43408567) is N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1nnsc1Cl.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine?
The InChIKey is HNEYFQBVZLQDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3S/c1-3-5-13(6-4-2)7-8-9(10)14-12-11-8/h3-7H2,1-2H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine?
N-[(5-chlorothiadiazol-4-yl)methyl]-N-propylpropan-1-amine has a molecular weight of 233.77 g/mol, XLogP of 2.81, 6 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-propylpropan-1-amine is sourced from PubChem (CID 43408567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).