3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine

C10H18N4S2 — CID 106446176

IUPAC3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(C2CSCCN2C)ns1
InChIInChI=1S/C10H18N4S2/c1-3-4-11-10-12-9(13-16-10)8-7-15-6-5-14(8)2/h8H,3-7H2,1-2H3,(H,11,12,13)
InChIKeySFHKRJUYQHUJSP-UHFFFAOYSA-N
MW258.42 g/mol
LogP2.08
Rot. Bonds4

About 3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine

3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 106446176) has the molecular formula C10H18N4S2 and a molecular weight of 258.42 g/mol. Its IUPAC name is 3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID106446176
Molecular FormulaC10H18N4S2
Molecular Weight258.42 g/mol
Exact Mass258.10
IUPAC Name3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(C2CSCCN2C)ns1
InChIInChI=1S/C10H18N4S2/c1-3-4-11-10-12-9(13-16-10)8-7-15-6-5-14(8)2/h8H,3-7H2,1-2H3,(H,11,12,13)
InChIKeySFHKRJUYQHUJSP-UHFFFAOYSA-N
XLogP2.08
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine (CID 106446176) is 3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine is CCCNc1nc(C2CSCCN2C)ns1.
What is the InChIKey of 3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is SFHKRJUYQHUJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S2/c1-3-4-11-10-12-9(13-16-10)8-7-15-6-5-14(8)2/h8H,3-7H2,1-2H3,(H,11,12,13).
What are the key properties of 3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine?
3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 258.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylthiomorpholin-3-yl)-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 106446176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).