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

C7H12N4S2 — CID 66278592

IUPAC5-(3-methylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine
SMILESCC1CSCCN1c1nc(N)ns1
InChIInChI=1S/C7H12N4S2/c1-5-4-12-3-2-11(5)7-9-6(8)10-13-7/h5H,2-4H2,1H3,(H2,8,10)
InChIKeyCJBCYAOGCXVYBI-UHFFFAOYSA-N
MW216.33 g/mol
LogP1.06
Rot. Bonds1

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

5-(3-methylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 66278592) has the molecular formula C7H12N4S2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 5-(3-methylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(3-methylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine
PubChem CID66278592
Molecular FormulaC7H12N4S2
Molecular Weight216.33 g/mol
Exact Mass216.05
IUPAC Name5-(3-methylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine
SMILESCC1CSCCN1c1nc(N)ns1
InChIInChI=1S/C7H12N4S2/c1-5-4-12-3-2-11(5)7-9-6(8)10-13-7/h5H,2-4H2,1H3,(H2,8,10)
InChIKeyCJBCYAOGCXVYBI-UHFFFAOYSA-N
XLogP1.06
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-Methylsulfanyloxy-1,2,4-thiadiazol-5-yl)thiomorpholine
CID 58792104
5-(2,6-Dimethylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine
CID 66278594
5-N-methyl-5-N-(thiolan-3-yl)-1,2,4-thiadiazole-3,5-diamine
CID 66279031
5-(1-Oxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
CID 66279457
5-(1,4-Thiazepan-4-yl)-1,2,4-thiadiazol-3-amine
CID 66280126
5-Thiomorpholin-4-yl-1,2,4-thiadiazol-3-amine
CID 66280349
2-N,2-N-diethyl-4-N-methyl-4-N-(thiolan-3-yl)-1,3,5-triazine-2,4,6-triamine
CID 80782701
5-(3-Methyl-1,1-dioxo-1,4-thiazinan-4-yl)-1,2,4-thiadiazol-3-amine
CID 102887535
5-N-methyl-5-N-(2-methylsulfanylethyl)-1,2,4-thiadiazole-3,5-diamine
CID 112667474
5-N-methyl-5-N-(1-methylsulfanylbutan-2-yl)-1,2,4-thiadiazole-3,5-diamine
CID 112667475
5-N-methyl-5-N-(1-methylsulfanylpropan-2-yl)-1,2,4-thiadiazole-3,5-diamine
CID 112667476
5-N-(1-ethylsulfanylpropan-2-yl)-1,2,4-thiadiazole-3,5-diamine
CID 116293194

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(3-methylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine (CID 66278592) is 5-(3-methylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(3-methylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(3-methylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine is CC1CSCCN1c1nc(N)ns1.
What is the InChIKey of 5-(3-methylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is CJBCYAOGCXVYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4S2/c1-5-4-12-3-2-11(5)7-9-6(8)10-13-7/h5H,2-4H2,1H3,(H2,8,10).
What are the key properties of 5-(3-methylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine?
5-(3-methylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 216.33 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylthiomorpholin-4-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 66278592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).