4-chloro-N-(2-methylprop-2-enyl)-1,2,5-thiadiazol-3-amine

C6H8ClN3S — CID 106196771

IUPAC4-chloro-N-(2-methylprop-2-enyl)-1,2,5-thiadiazol-3-amine
SMILESC=C(C)CNc1nsnc1Cl
InChIInChI=1S/C6H8ClN3S/c1-4(2)3-8-6-5(7)9-11-10-6/h1,3H2,2H3,(H,8,10)
InChIKeyXDOLBIHCLSSDMK-UHFFFAOYSA-N
MW189.67 g/mol
LogP2.18
Rot. Bonds3

About 4-chloro-N-(2-methylprop-2-enyl)-1,2,5-thiadiazol-3-amine

4-chloro-N-(2-methylprop-2-enyl)-1,2,5-thiadiazol-3-amine (PubChem CID 106196771) has the molecular formula C6H8ClN3S and a molecular weight of 189.67 g/mol. Its IUPAC name is 4-chloro-N-(2-methylprop-2-enyl)-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(2-methylprop-2-enyl)-1,2,5-thiadiazol-3-amine
PubChem CID106196771
Molecular FormulaC6H8ClN3S
Molecular Weight189.67 g/mol
Exact Mass189.01
IUPAC Name4-chloro-N-(2-methylprop-2-enyl)-1,2,5-thiadiazol-3-amine
SMILESC=C(C)CNc1nsnc1Cl
InChIInChI=1S/C6H8ClN3S/c1-4(2)3-8-6-5(7)9-11-10-6/h1,3H2,2H3,(H,8,10)
InChIKeyXDOLBIHCLSSDMK-UHFFFAOYSA-N
XLogP2.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylprop-2-enyl)-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(2-methylprop-2-enyl)-1,2,5-thiadiazol-3-amine (CID 106196771) is 4-chloro-N-(2-methylprop-2-enyl)-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(2-methylprop-2-enyl)-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(2-methylprop-2-enyl)-1,2,5-thiadiazol-3-amine is C=C(C)CNc1nsnc1Cl.
What is the InChIKey of 4-chloro-N-(2-methylprop-2-enyl)-1,2,5-thiadiazol-3-amine?
The InChIKey is XDOLBIHCLSSDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClN3S/c1-4(2)3-8-6-5(7)9-11-10-6/h1,3H2,2H3,(H,8,10).
What are the key properties of 4-chloro-N-(2-methylprop-2-enyl)-1,2,5-thiadiazol-3-amine?
4-chloro-N-(2-methylprop-2-enyl)-1,2,5-thiadiazol-3-amine has a molecular weight of 189.67 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylprop-2-enyl)-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 106196771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).