2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine

C9H15N3S2 — CID 71871068

IUPAC2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCc1nsc(N2CCSC(C)C2C)n1
InChIInChI=1S/C9H15N3S2/c1-6-7(2)13-5-4-12(6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3
InChIKeyFHJNIVHTYXBYPP-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.18
Rot. Bonds1

About 2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine

2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine (PubChem CID 71871068) has the molecular formula C9H15N3S2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine.

Molecular Properties

Compound Name2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine
PubChem CID71871068
Molecular FormulaC9H15N3S2
Molecular Weight229.37 g/mol
Exact Mass229.07
IUPAC Name2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine
SMILESCc1nsc(N2CCSC(C)C2C)n1
InChIInChI=1S/C9H15N3S2/c1-6-7(2)13-5-4-12(6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3
InChIKeyFHJNIVHTYXBYPP-UHFFFAOYSA-N
XLogP2.18
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The IUPAC name of 2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine (CID 71871068) is 2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine.
What is the SMILES notation for 2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The canonical SMILES for 2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine is Cc1nsc(N2CCSC(C)C2C)n1.
What is the InChIKey of 2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
The InChIKey is FHJNIVHTYXBYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S2/c1-6-7(2)13-5-4-12(6)9-10-8(3)11-14-9/h6-7H,4-5H2,1-3H3.
What are the key properties of 2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine?
2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine has a molecular weight of 229.37 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)thiomorpholine is sourced from PubChem (CID 71871068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).