4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylthiomorpholine

C9H14ClN3S2 — CID 80610456

IUPAC4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylthiomorpholine
SMILESCC1CN(Cc2nnc(Cl)s2)CC(C)S1
InChIInChI=1S/C9H14ClN3S2/c1-6-3-13(4-7(2)14-6)5-8-11-12-9(10)15-8/h6-7H,3-5H2,1-2H3
InChIKeyGXDZCTNEUKSLEK-UHFFFAOYSA-N
MW263.82 g/mol
LogP2.52
Rot. Bonds2

About 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylthiomorpholine

4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylthiomorpholine (PubChem CID 80610456) has the molecular formula C9H14ClN3S2 and a molecular weight of 263.82 g/mol. Its IUPAC name is 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylthiomorpholine.

Molecular Properties

Compound Name4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylthiomorpholine
PubChem CID80610456
Molecular FormulaC9H14ClN3S2
Molecular Weight263.82 g/mol
Exact Mass263.03
IUPAC Name4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylthiomorpholine
SMILESCC1CN(Cc2nnc(Cl)s2)CC(C)S1
InChIInChI=1S/C9H14ClN3S2/c1-6-3-13(4-7(2)14-6)5-8-11-12-9(10)15-8/h6-7H,3-5H2,1-2H3
InChIKeyGXDZCTNEUKSLEK-UHFFFAOYSA-N
XLogP2.52
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.82
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylthiomorpholine?
The IUPAC name of 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylthiomorpholine (CID 80610456) is 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylthiomorpholine.
What is the SMILES notation for 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylthiomorpholine?
The canonical SMILES for 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylthiomorpholine is CC1CN(Cc2nnc(Cl)s2)CC(C)S1.
What is the InChIKey of 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylthiomorpholine?
The InChIKey is GXDZCTNEUKSLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3S2/c1-6-3-13(4-7(2)14-6)5-8-11-12-9(10)15-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylthiomorpholine?
4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylthiomorpholine has a molecular weight of 263.82 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylthiomorpholine is sourced from PubChem (CID 80610456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).