5-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methylthiadiazole

C10H13N3S — CID 130600363

IUPAC5-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methylthiadiazole
SMILESCc1cn(Cc2snnc2C)cc1C
InChIInChI=1S/C10H13N3S/c1-7-4-13(5-8(7)2)6-10-9(3)11-12-14-10/h4-5H,6H2,1-3H3
InChIKeyORWJSHZDTYHSBD-UHFFFAOYSA-N
MW207.30 g/mol
LogP2.31
Rot. Bonds2

About 5-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methylthiadiazole

5-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methylthiadiazole (PubChem CID 130600363) has the molecular formula C10H13N3S and a molecular weight of 207.30 g/mol. Its IUPAC name is 5-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methylthiadiazole.

Molecular Properties

Compound Name5-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methylthiadiazole
PubChem CID130600363
Molecular FormulaC10H13N3S
Molecular Weight207.30 g/mol
Exact Mass207.08
IUPAC Name5-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methylthiadiazole
SMILESCc1cn(Cc2snnc2C)cc1C
InChIInChI=1S/C10H13N3S/c1-7-4-13(5-8(7)2)6-10-9(3)11-12-14-10/h4-5H,6H2,1-3H3
InChIKeyORWJSHZDTYHSBD-UHFFFAOYSA-N
XLogP2.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methylthiadiazole?
The IUPAC name of 5-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methylthiadiazole (CID 130600363) is 5-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methylthiadiazole.
What is the SMILES notation for 5-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methylthiadiazole?
The canonical SMILES for 5-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methylthiadiazole is Cc1cn(Cc2snnc2C)cc1C.
What is the InChIKey of 5-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methylthiadiazole?
The InChIKey is ORWJSHZDTYHSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3S/c1-7-4-13(5-8(7)2)6-10-9(3)11-12-14-10/h4-5H,6H2,1-3H3.
What are the key properties of 5-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methylthiadiazole?
5-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methylthiadiazole has a molecular weight of 207.30 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylpyrrol-1-yl)methyl]-4-methylthiadiazole is sourced from PubChem (CID 130600363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).