4-[(5-chlorothiadiazol-4-yl)methyl]thiomorpholine

C7H10ClN3S2 — CID 43608142

IUPAC4-[(5-chlorothiadiazol-4-yl)methyl]thiomorpholine
SMILESClc1snnc1CN1CCSCC1
InChIInChI=1S/C7H10ClN3S2/c8-7-6(9-10-13-7)5-11-1-3-12-4-2-11/h1-5H2
InChIKeyHNWIDNLITSRHJQ-UHFFFAOYSA-N
MW235.76 g/mol
LogP1.74
Rot. Bonds2

About 4-[(5-chlorothiadiazol-4-yl)methyl]thiomorpholine

4-[(5-chlorothiadiazol-4-yl)methyl]thiomorpholine (PubChem CID 43608142) has the molecular formula C7H10ClN3S2 and a molecular weight of 235.76 g/mol. Its IUPAC name is 4-[(5-chlorothiadiazol-4-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(5-chlorothiadiazol-4-yl)methyl]thiomorpholine
PubChem CID43608142
Molecular FormulaC7H10ClN3S2
Molecular Weight235.76 g/mol
Exact Mass235.00
IUPAC Name4-[(5-chlorothiadiazol-4-yl)methyl]thiomorpholine
SMILESClc1snnc1CN1CCSCC1
InChIInChI=1S/C7H10ClN3S2/c8-7-6(9-10-13-7)5-11-1-3-12-4-2-11/h1-5H2
InChIKeyHNWIDNLITSRHJQ-UHFFFAOYSA-N
XLogP1.74
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.76
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(5-chlorothiadiazol-4-yl)methyl]thiomorpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiadiazol-4-yl)methyl]thiomorpholine?
The IUPAC name of 4-[(5-chlorothiadiazol-4-yl)methyl]thiomorpholine (CID 43608142) is 4-[(5-chlorothiadiazol-4-yl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(5-chlorothiadiazol-4-yl)methyl]thiomorpholine?
The canonical SMILES for 4-[(5-chlorothiadiazol-4-yl)methyl]thiomorpholine is Clc1snnc1CN1CCSCC1.
What is the InChIKey of 4-[(5-chlorothiadiazol-4-yl)methyl]thiomorpholine?
The InChIKey is HNWIDNLITSRHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3S2/c8-7-6(9-10-13-7)5-11-1-3-12-4-2-11/h1-5H2.
What are the key properties of 4-[(5-chlorothiadiazol-4-yl)methyl]thiomorpholine?
4-[(5-chlorothiadiazol-4-yl)methyl]thiomorpholine has a molecular weight of 235.76 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiadiazol-4-yl)methyl]thiomorpholine is sourced from PubChem (CID 43608142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).