4-(3,4-dichloro-5-methylthiophen-2-yl)thiadiazole

C7H4Cl2N2S2 — CID 169490504

IUPAC4-(3,4-dichloro-5-methylthiophen-2-yl)thiadiazole
SMILESCc1sc(-c2csnn2)c(Cl)c1Cl
InChIInChI=1S/C7H4Cl2N2S2/c1-3-5(8)6(9)7(13-3)4-2-12-11-10-4/h2H,1H3
InChIKeyNGOOBZLKCANPCZ-UHFFFAOYSA-N
MW251.16 g/mol
LogP3.88
Rot. Bonds1

About 4-(3,4-dichloro-5-methylthiophen-2-yl)thiadiazole

4-(3,4-dichloro-5-methylthiophen-2-yl)thiadiazole (PubChem CID 169490504) has the molecular formula C7H4Cl2N2S2 and a molecular weight of 251.16 g/mol. Its IUPAC name is 4-(3,4-dichloro-5-methylthiophen-2-yl)thiadiazole.

Molecular Properties

Compound Name4-(3,4-dichloro-5-methylthiophen-2-yl)thiadiazole
PubChem CID169490504
Molecular FormulaC7H4Cl2N2S2
Molecular Weight251.16 g/mol
Exact Mass249.92
IUPAC Name4-(3,4-dichloro-5-methylthiophen-2-yl)thiadiazole
SMILESCc1sc(-c2csnn2)c(Cl)c1Cl
InChIInChI=1S/C7H4Cl2N2S2/c1-3-5(8)6(9)7(13-3)4-2-12-11-10-4/h2H,1H3
InChIKeyNGOOBZLKCANPCZ-UHFFFAOYSA-N
XLogP3.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichloro-5-methylthiophen-2-yl)thiadiazole?
The IUPAC name of 4-(3,4-dichloro-5-methylthiophen-2-yl)thiadiazole (CID 169490504) is 4-(3,4-dichloro-5-methylthiophen-2-yl)thiadiazole.
What is the SMILES notation for 4-(3,4-dichloro-5-methylthiophen-2-yl)thiadiazole?
The canonical SMILES for 4-(3,4-dichloro-5-methylthiophen-2-yl)thiadiazole is Cc1sc(-c2csnn2)c(Cl)c1Cl.
What is the InChIKey of 4-(3,4-dichloro-5-methylthiophen-2-yl)thiadiazole?
The InChIKey is NGOOBZLKCANPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2S2/c1-3-5(8)6(9)7(13-3)4-2-12-11-10-4/h2H,1H3.
What are the key properties of 4-(3,4-dichloro-5-methylthiophen-2-yl)thiadiazole?
4-(3,4-dichloro-5-methylthiophen-2-yl)thiadiazole has a molecular weight of 251.16 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichloro-5-methylthiophen-2-yl)thiadiazole is sourced from PubChem (CID 169490504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).