[4-(3-chlorophenyl)thiadiazol-5-yl]methanamine

C9H8ClN3S — CID 65208001

IUPAC[4-(3-chlorophenyl)thiadiazol-5-yl]methanamine
SMILESNCc1snnc1-c1cccc(Cl)c1
InChIInChI=1S/C9H8ClN3S/c10-7-3-1-2-6(4-7)9-8(5-11)14-13-12-9/h1-4H,5,11H2
InChIKeyZMDZTGUSWAVLDC-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.32
Rot. Bonds2

About [4-(3-chlorophenyl)thiadiazol-5-yl]methanamine

[4-(3-chlorophenyl)thiadiazol-5-yl]methanamine (PubChem CID 65208001) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is [4-(3-chlorophenyl)thiadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-(3-chlorophenyl)thiadiazol-5-yl]methanamine
PubChem CID65208001
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name[4-(3-chlorophenyl)thiadiazol-5-yl]methanamine
SMILESNCc1snnc1-c1cccc(Cl)c1
InChIInChI=1S/C9H8ClN3S/c10-7-3-1-2-6(4-7)9-8(5-11)14-13-12-9/h1-4H,5,11H2
InChIKeyZMDZTGUSWAVLDC-UHFFFAOYSA-N
XLogP2.32
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)thiadiazol-5-yl]methanamine?
The IUPAC name of [4-(3-chlorophenyl)thiadiazol-5-yl]methanamine (CID 65208001) is [4-(3-chlorophenyl)thiadiazol-5-yl]methanamine.
What is the SMILES notation for [4-(3-chlorophenyl)thiadiazol-5-yl]methanamine?
The canonical SMILES for [4-(3-chlorophenyl)thiadiazol-5-yl]methanamine is NCc1snnc1-c1cccc(Cl)c1.
What is the InChIKey of [4-(3-chlorophenyl)thiadiazol-5-yl]methanamine?
The InChIKey is ZMDZTGUSWAVLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c10-7-3-1-2-6(4-7)9-8(5-11)14-13-12-9/h1-4H,5,11H2.
What are the key properties of [4-(3-chlorophenyl)thiadiazol-5-yl]methanamine?
[4-(3-chlorophenyl)thiadiazol-5-yl]methanamine has a molecular weight of 225.70 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)thiadiazol-5-yl]methanamine is sourced from PubChem (CID 65208001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).