4-(1-methylpyrrol-2-yl)thiadiazole

C7H7N3S — CID 119085022

IUPAC4-(1-methylpyrrol-2-yl)thiadiazole
SMILESCn1cccc1-c1csnn1
InChIInChI=1S/C7H7N3S/c1-10-4-2-3-7(10)6-5-11-9-8-6/h2-5H,1H3
InChIKeyRWURXBOFZPJFGB-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.54
Rot. Bonds1

About 4-(1-methylpyrrol-2-yl)thiadiazole

4-(1-methylpyrrol-2-yl)thiadiazole (PubChem CID 119085022) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 4-(1-methylpyrrol-2-yl)thiadiazole.

Molecular Properties

Compound Name4-(1-methylpyrrol-2-yl)thiadiazole
PubChem CID119085022
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name4-(1-methylpyrrol-2-yl)thiadiazole
SMILESCn1cccc1-c1csnn1
InChIInChI=1S/C7H7N3S/c1-10-4-2-3-7(10)6-5-11-9-8-6/h2-5H,1H3
InChIKeyRWURXBOFZPJFGB-UHFFFAOYSA-N
XLogP1.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrrol-2-yl)thiadiazole?
The IUPAC name of 4-(1-methylpyrrol-2-yl)thiadiazole (CID 119085022) is 4-(1-methylpyrrol-2-yl)thiadiazole.
What is the SMILES notation for 4-(1-methylpyrrol-2-yl)thiadiazole?
The canonical SMILES for 4-(1-methylpyrrol-2-yl)thiadiazole is Cn1cccc1-c1csnn1.
What is the InChIKey of 4-(1-methylpyrrol-2-yl)thiadiazole?
The InChIKey is RWURXBOFZPJFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-10-4-2-3-7(10)6-5-11-9-8-6/h2-5H,1H3.
What are the key properties of 4-(1-methylpyrrol-2-yl)thiadiazole?
4-(1-methylpyrrol-2-yl)thiadiazole has a molecular weight of 165.22 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrrol-2-yl)thiadiazole is sourced from PubChem (CID 119085022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).