4-(pyrrol-1-ylmethyl)thiadiazole

C7H7N3S — CID 130549918

IUPAC4-(pyrrol-1-ylmethyl)thiadiazole
SMILESc1ccn(Cc2csnn2)c1
InChIInChI=1S/C7H7N3S/c1-2-4-10(3-1)5-7-6-11-9-8-7/h1-4,6H,5H2
InChIKeySKIBLMDGLDJPFQ-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.39
Rot. Bonds2

About 4-(pyrrol-1-ylmethyl)thiadiazole

4-(pyrrol-1-ylmethyl)thiadiazole (PubChem CID 130549918) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 4-(pyrrol-1-ylmethyl)thiadiazole.

Molecular Properties

Compound Name4-(pyrrol-1-ylmethyl)thiadiazole
PubChem CID130549918
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name4-(pyrrol-1-ylmethyl)thiadiazole
SMILESc1ccn(Cc2csnn2)c1
InChIInChI=1S/C7H7N3S/c1-2-4-10(3-1)5-7-6-11-9-8-7/h1-4,6H,5H2
InChIKeySKIBLMDGLDJPFQ-UHFFFAOYSA-N
XLogP1.39
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrrol-1-ylmethyl)thiadiazole?
The IUPAC name of 4-(pyrrol-1-ylmethyl)thiadiazole (CID 130549918) is 4-(pyrrol-1-ylmethyl)thiadiazole.
What is the SMILES notation for 4-(pyrrol-1-ylmethyl)thiadiazole?
The canonical SMILES for 4-(pyrrol-1-ylmethyl)thiadiazole is c1ccn(Cc2csnn2)c1.
What is the InChIKey of 4-(pyrrol-1-ylmethyl)thiadiazole?
The InChIKey is SKIBLMDGLDJPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c1-2-4-10(3-1)5-7-6-11-9-8-7/h1-4,6H,5H2.
What are the key properties of 4-(pyrrol-1-ylmethyl)thiadiazole?
4-(pyrrol-1-ylmethyl)thiadiazole has a molecular weight of 165.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrol-1-ylmethyl)thiadiazole is sourced from PubChem (CID 130549918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).