4-chloro-N-methyl-N-(thiolan-3-yl)-1,2,5-thiadiazol-3-amine

C7H10ClN3S2 — CID 43808269

IUPAC4-chloro-N-methyl-N-(thiolan-3-yl)-1,2,5-thiadiazol-3-amine
SMILESCN(c1nsnc1Cl)C1CCSC1
InChIInChI=1S/C7H10ClN3S2/c1-11(5-2-3-12-4-5)7-6(8)9-13-10-7/h5H,2-4H2,1H3
InChIKeyZUBXSYVVKHHXRM-UHFFFAOYSA-N
MW235.76 g/mol
LogP2.13
Rot. Bonds2

About 4-chloro-N-methyl-N-(thiolan-3-yl)-1,2,5-thiadiazol-3-amine

4-chloro-N-methyl-N-(thiolan-3-yl)-1,2,5-thiadiazol-3-amine (PubChem CID 43808269) has the molecular formula C7H10ClN3S2 and a molecular weight of 235.76 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-(thiolan-3-yl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-methyl-N-(thiolan-3-yl)-1,2,5-thiadiazol-3-amine
PubChem CID43808269
Molecular FormulaC7H10ClN3S2
Molecular Weight235.76 g/mol
Exact Mass235.00
IUPAC Name4-chloro-N-methyl-N-(thiolan-3-yl)-1,2,5-thiadiazol-3-amine
SMILESCN(c1nsnc1Cl)C1CCSC1
InChIInChI=1S/C7H10ClN3S2/c1-11(5-2-3-12-4-5)7-6(8)9-13-10-7/h5H,2-4H2,1H3
InChIKeyZUBXSYVVKHHXRM-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-(thiolan-3-yl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-methyl-N-(thiolan-3-yl)-1,2,5-thiadiazol-3-amine (CID 43808269) is 4-chloro-N-methyl-N-(thiolan-3-yl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-methyl-N-(thiolan-3-yl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-methyl-N-(thiolan-3-yl)-1,2,5-thiadiazol-3-amine is CN(c1nsnc1Cl)C1CCSC1.
What is the InChIKey of 4-chloro-N-methyl-N-(thiolan-3-yl)-1,2,5-thiadiazol-3-amine?
The InChIKey is ZUBXSYVVKHHXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3S2/c1-11(5-2-3-12-4-5)7-6(8)9-13-10-7/h5H,2-4H2,1H3.
What are the key properties of 4-chloro-N-methyl-N-(thiolan-3-yl)-1,2,5-thiadiazol-3-amine?
4-chloro-N-methyl-N-(thiolan-3-yl)-1,2,5-thiadiazol-3-amine has a molecular weight of 235.76 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-methyl-N-(thiolan-3-yl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 43808269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).