N-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylsulfanyl-N-methylpropan-2-amine

C9H16ClN3S2 — CID 71868827

IUPACN-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylsulfanyl-N-methylpropan-2-amine
SMILESCCSCC(C)N(C)Cc1nnsc1Cl
InChIInChI=1S/C9H16ClN3S2/c1-4-14-6-7(2)13(3)5-8-9(10)15-12-11-8/h7H,4-6H2,1-3H3
InChIKeyYAFPWJIJJYPDBO-UHFFFAOYSA-N
MW265.83 g/mol
LogP2.76
Rot. Bonds6

About N-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylsulfanyl-N-methylpropan-2-amine

N-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylsulfanyl-N-methylpropan-2-amine (PubChem CID 71868827) has the molecular formula C9H16ClN3S2 and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylsulfanyl-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylsulfanyl-N-methylpropan-2-amine
PubChem CID71868827
Molecular FormulaC9H16ClN3S2
Molecular Weight265.83 g/mol
Exact Mass265.05
IUPAC NameN-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylsulfanyl-N-methylpropan-2-amine
SMILESCCSCC(C)N(C)Cc1nnsc1Cl
InChIInChI=1S/C9H16ClN3S2/c1-4-14-6-7(2)13(3)5-8-9(10)15-12-11-8/h7H,4-6H2,1-3H3
InChIKeyYAFPWJIJJYPDBO-UHFFFAOYSA-N
XLogP2.76
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylsulfanyl-N-methylpropan-2-amine?
The IUPAC name of N-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylsulfanyl-N-methylpropan-2-amine (CID 71868827) is N-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylsulfanyl-N-methylpropan-2-amine.
What is the SMILES notation for N-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylsulfanyl-N-methylpropan-2-amine?
The canonical SMILES for N-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylsulfanyl-N-methylpropan-2-amine is CCSCC(C)N(C)Cc1nnsc1Cl.
What is the InChIKey of N-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylsulfanyl-N-methylpropan-2-amine?
The InChIKey is YAFPWJIJJYPDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3S2/c1-4-14-6-7(2)13(3)5-8-9(10)15-12-11-8/h7H,4-6H2,1-3H3.
What are the key properties of N-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylsulfanyl-N-methylpropan-2-amine?
N-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylsulfanyl-N-methylpropan-2-amine has a molecular weight of 265.83 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiadiazol-4-yl)methyl]-1-ethylsulfanyl-N-methylpropan-2-amine is sourced from PubChem (CID 71868827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).