4-(3-chloro-5-methylthiophen-2-yl)thiadiazole

C7H5ClN2S2 — CID 169490496

IUPAC4-(3-chloro-5-methylthiophen-2-yl)thiadiazole
SMILESCc1cc(Cl)c(-c2csnn2)s1
InChIInChI=1S/C7H5ClN2S2/c1-4-2-5(8)7(12-4)6-3-11-10-9-6/h2-3H,1H3
InChIKeyDMOXOKOLHWBVLV-UHFFFAOYSA-N
MW216.72 g/mol
LogP3.23
Rot. Bonds1

About 4-(3-chloro-5-methylthiophen-2-yl)thiadiazole

4-(3-chloro-5-methylthiophen-2-yl)thiadiazole (PubChem CID 169490496) has the molecular formula C7H5ClN2S2 and a molecular weight of 216.72 g/mol. Its IUPAC name is 4-(3-chloro-5-methylthiophen-2-yl)thiadiazole.

Molecular Properties

Compound Name4-(3-chloro-5-methylthiophen-2-yl)thiadiazole
PubChem CID169490496
Molecular FormulaC7H5ClN2S2
Molecular Weight216.72 g/mol
Exact Mass215.96
IUPAC Name4-(3-chloro-5-methylthiophen-2-yl)thiadiazole
SMILESCc1cc(Cl)c(-c2csnn2)s1
InChIInChI=1S/C7H5ClN2S2/c1-4-2-5(8)7(12-4)6-3-11-10-9-6/h2-3H,1H3
InChIKeyDMOXOKOLHWBVLV-UHFFFAOYSA-N
XLogP3.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.72
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-methylthiophen-2-yl)thiadiazole?
The IUPAC name of 4-(3-chloro-5-methylthiophen-2-yl)thiadiazole (CID 169490496) is 4-(3-chloro-5-methylthiophen-2-yl)thiadiazole.
What is the SMILES notation for 4-(3-chloro-5-methylthiophen-2-yl)thiadiazole?
The canonical SMILES for 4-(3-chloro-5-methylthiophen-2-yl)thiadiazole is Cc1cc(Cl)c(-c2csnn2)s1.
What is the InChIKey of 4-(3-chloro-5-methylthiophen-2-yl)thiadiazole?
The InChIKey is DMOXOKOLHWBVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2S2/c1-4-2-5(8)7(12-4)6-3-11-10-9-6/h2-3H,1H3.
What are the key properties of 4-(3-chloro-5-methylthiophen-2-yl)thiadiazole?
4-(3-chloro-5-methylthiophen-2-yl)thiadiazole has a molecular weight of 216.72 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-methylthiophen-2-yl)thiadiazole is sourced from PubChem (CID 169490496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).