(4-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanamine

C9H8ClN3S — CID 105076381

IUPAC(4-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1cnsn1
InChIInChI=1S/C9H8ClN3S/c10-7-3-1-6(2-4-7)9(11)8-5-12-14-13-8/h1-5,9H,11H2
InChIKeyJOVOMRDIHRXTKN-UHFFFAOYSA-N
MW225.70 g/mol
LogP2.24
Rot. Bonds2

About (4-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanamine

(4-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanamine (PubChem CID 105076381) has the molecular formula C9H8ClN3S and a molecular weight of 225.70 g/mol. Its IUPAC name is (4-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanamine
PubChem CID105076381
Molecular FormulaC9H8ClN3S
Molecular Weight225.70 g/mol
Exact Mass225.01
IUPAC Name(4-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanamine
SMILESNC(c1ccc(Cl)cc1)c1cnsn1
InChIInChI=1S/C9H8ClN3S/c10-7-3-1-6(2-4-7)9(11)8-5-12-14-13-8/h1-5,9H,11H2
InChIKeyJOVOMRDIHRXTKN-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanamine?
The IUPAC name of (4-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanamine (CID 105076381) is (4-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanamine.
What is the SMILES notation for (4-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanamine?
The canonical SMILES for (4-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanamine is NC(c1ccc(Cl)cc1)c1cnsn1.
What is the InChIKey of (4-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanamine?
The InChIKey is JOVOMRDIHRXTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3S/c10-7-3-1-6(2-4-7)9(11)8-5-12-14-13-8/h1-5,9H,11H2.
What are the key properties of (4-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanamine?
(4-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanamine has a molecular weight of 225.70 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(1,2,5-thiadiazol-3-yl)methanamine is sourced from PubChem (CID 105076381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).