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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine
CID 106446173
2-(4-methylthiomorpholin-3-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472557
2-[4,6-diethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-N-methylethanamine
CID 106445977
N-[[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 106445969
3-(oxolan-2-yl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65330592
N-[[4-(methoxymethyl)-2-(4-methylthiomorpholin-3-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 106445877
5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine
CID 106445744
6-ethyl-5-iodo-N-methyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-4-amine
CID 106445757
3-(4,6-dichloro-5-iodopyrimidin-2-yl)-4-methylthiomorpholine
CID 103595131
N,6-diethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 106445673
N-[2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 103594674
[4-ethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]methanamine
CID 114206031

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).