2-chloro-5-(thiophen-3-ylmethyl)-1,3,4-thiadiazole

C7H5ClN2S2 — CID 63386125

IUPAC2-chloro-5-(thiophen-3-ylmethyl)-1,3,4-thiadiazole
SMILESClc1nnc(Cc2ccsc2)s1
InChIInChI=1S/C7H5ClN2S2/c8-7-10-9-6(12-7)3-5-1-2-11-4-5/h1-2,4H,3H2
InChIKeyKAESRGBJIYILFN-UHFFFAOYSA-N
MW216.72 g/mol
LogP2.84
Rot. Bonds2

About 2-chloro-5-(thiophen-3-ylmethyl)-1,3,4-thiadiazole

2-chloro-5-(thiophen-3-ylmethyl)-1,3,4-thiadiazole (PubChem CID 63386125) has the molecular formula C7H5ClN2S2 and a molecular weight of 216.72 g/mol. Its IUPAC name is 2-chloro-5-(thiophen-3-ylmethyl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(thiophen-3-ylmethyl)-1,3,4-thiadiazole
PubChem CID63386125
Molecular FormulaC7H5ClN2S2
Molecular Weight216.72 g/mol
Exact Mass215.96
IUPAC Name2-chloro-5-(thiophen-3-ylmethyl)-1,3,4-thiadiazole
SMILESClc1nnc(Cc2ccsc2)s1
InChIInChI=1S/C7H5ClN2S2/c8-7-10-9-6(12-7)3-5-1-2-11-4-5/h1-2,4H,3H2
InChIKeyKAESRGBJIYILFN-UHFFFAOYSA-N
XLogP2.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.72
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(thiophen-3-ylmethyl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(thiophen-3-ylmethyl)-1,3,4-thiadiazole (CID 63386125) is 2-chloro-5-(thiophen-3-ylmethyl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(thiophen-3-ylmethyl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(thiophen-3-ylmethyl)-1,3,4-thiadiazole is Clc1nnc(Cc2ccsc2)s1.
What is the InChIKey of 2-chloro-5-(thiophen-3-ylmethyl)-1,3,4-thiadiazole?
The InChIKey is KAESRGBJIYILFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2S2/c8-7-10-9-6(12-7)3-5-1-2-11-4-5/h1-2,4H,3H2.
What are the key properties of 2-chloro-5-(thiophen-3-ylmethyl)-1,3,4-thiadiazole?
2-chloro-5-(thiophen-3-ylmethyl)-1,3,4-thiadiazole has a molecular weight of 216.72 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(thiophen-3-ylmethyl)-1,3,4-thiadiazole is sourced from PubChem (CID 63386125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).