3-chloro-N-[(5-chlorothiadiazol-4-yl)methyl]aniline

C9H7Cl2N3S — CID 1475984

IUPAC3-chloro-N-[(5-chlorothiadiazol-4-yl)methyl]aniline
SMILESClc1cccc(NCc2nnsc2Cl)c1
InChIInChI=1S/C9H7Cl2N3S/c10-6-2-1-3-7(4-6)12-5-8-9(11)15-14-13-8/h1-4,12H,5H2
InChIKeyGMXRGXHFMFBFDP-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.46
Rot. Bonds3

About 3-chloro-N-[(5-chlorothiadiazol-4-yl)methyl]aniline

3-chloro-N-[(5-chlorothiadiazol-4-yl)methyl]aniline (PubChem CID 1475984) has the molecular formula C9H7Cl2N3S and a molecular weight of 260.15 g/mol. Its IUPAC name is 3-chloro-N-[(5-chlorothiadiazol-4-yl)methyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[(5-chlorothiadiazol-4-yl)methyl]aniline
PubChem CID1475984
Molecular FormulaC9H7Cl2N3S
Molecular Weight260.15 g/mol
Exact Mass258.97
IUPAC Name3-chloro-N-[(5-chlorothiadiazol-4-yl)methyl]aniline
SMILESClc1cccc(NCc2nnsc2Cl)c1
InChIInChI=1S/C9H7Cl2N3S/c10-6-2-1-3-7(4-6)12-5-8-9(11)15-14-13-8/h1-4,12H,5H2
InChIKeyGMXRGXHFMFBFDP-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-chlorothiadiazol-4-yl)methyl]aniline?
The IUPAC name of 3-chloro-N-[(5-chlorothiadiazol-4-yl)methyl]aniline (CID 1475984) is 3-chloro-N-[(5-chlorothiadiazol-4-yl)methyl]aniline.
What is the SMILES notation for 3-chloro-N-[(5-chlorothiadiazol-4-yl)methyl]aniline?
The canonical SMILES for 3-chloro-N-[(5-chlorothiadiazol-4-yl)methyl]aniline is Clc1cccc(NCc2nnsc2Cl)c1.
What is the InChIKey of 3-chloro-N-[(5-chlorothiadiazol-4-yl)methyl]aniline?
The InChIKey is GMXRGXHFMFBFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3S/c10-6-2-1-3-7(4-6)12-5-8-9(11)15-14-13-8/h1-4,12H,5H2.
What are the key properties of 3-chloro-N-[(5-chlorothiadiazol-4-yl)methyl]aniline?
3-chloro-N-[(5-chlorothiadiazol-4-yl)methyl]aniline has a molecular weight of 260.15 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-chlorothiadiazol-4-yl)methyl]aniline is sourced from PubChem (CID 1475984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).