(5-chlorothiadiazol-4-yl)methanamine

C3H4ClN3S — CID 84649351

IUPAC(5-chlorothiadiazol-4-yl)methanamine
SMILESNCc1nnsc1Cl
InChIInChI=1S/C3H4ClN3S/c4-3-2(1-5)6-7-8-3/h1,5H2
InChIKeyQDGMWFNHVBASDH-UHFFFAOYSA-N
MW149.61 g/mol
LogP0.65
Rot. Bonds1

About (5-chlorothiadiazol-4-yl)methanamine

(5-chlorothiadiazol-4-yl)methanamine (PubChem CID 84649351) has the molecular formula C3H4ClN3S and a molecular weight of 149.61 g/mol. Its IUPAC name is (5-chlorothiadiazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-chlorothiadiazol-4-yl)methanamine
PubChem CID84649351
Molecular FormulaC3H4ClN3S
Molecular Weight149.61 g/mol
Exact Mass148.98
IUPAC Name(5-chlorothiadiazol-4-yl)methanamine
SMILESNCc1nnsc1Cl
InChIInChI=1S/C3H4ClN3S/c4-3-2(1-5)6-7-8-3/h1,5H2
InChIKeyQDGMWFNHVBASDH-UHFFFAOYSA-N
XLogP0.65
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.61
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiadiazol-4-yl)methanamine?
The IUPAC name of (5-chlorothiadiazol-4-yl)methanamine (CID 84649351) is (5-chlorothiadiazol-4-yl)methanamine.
What is the SMILES notation for (5-chlorothiadiazol-4-yl)methanamine?
The canonical SMILES for (5-chlorothiadiazol-4-yl)methanamine is NCc1nnsc1Cl.
What is the InChIKey of (5-chlorothiadiazol-4-yl)methanamine?
The InChIKey is QDGMWFNHVBASDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClN3S/c4-3-2(1-5)6-7-8-3/h1,5H2.
What are the key properties of (5-chlorothiadiazol-4-yl)methanamine?
(5-chlorothiadiazol-4-yl)methanamine has a molecular weight of 149.61 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiadiazol-4-yl)methanamine is sourced from PubChem (CID 84649351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).