1-(1,3,4-thiadiazol-2-yl)cyclobutane-1-carbonitrile

C7H7N3S — CID 130544245

IUPAC1-(1,3,4-thiadiazol-2-yl)cyclobutane-1-carbonitrile
SMILESN#CC1(c2nncs2)CCC1
InChIInChI=1S/C7H7N3S/c8-4-7(2-1-3-7)6-10-9-5-11-6/h5H,1-3H2
InChIKeyNFNOPBCWZBWCLK-UHFFFAOYSA-N
MW165.22 g/mol
LogP1.48
Rot. Bonds1

About 1-(1,3,4-thiadiazol-2-yl)cyclobutane-1-carbonitrile

1-(1,3,4-thiadiazol-2-yl)cyclobutane-1-carbonitrile (PubChem CID 130544245) has the molecular formula C7H7N3S and a molecular weight of 165.22 g/mol. Its IUPAC name is 1-(1,3,4-thiadiazol-2-yl)cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-(1,3,4-thiadiazol-2-yl)cyclobutane-1-carbonitrile
PubChem CID130544245
Molecular FormulaC7H7N3S
Molecular Weight165.22 g/mol
Exact Mass165.04
IUPAC Name1-(1,3,4-thiadiazol-2-yl)cyclobutane-1-carbonitrile
SMILESN#CC1(c2nncs2)CCC1
InChIInChI=1S/C7H7N3S/c8-4-7(2-1-3-7)6-10-9-5-11-6/h5H,1-3H2
InChIKeyNFNOPBCWZBWCLK-UHFFFAOYSA-N
XLogP1.48
TPSA49.57 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 ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4-thiadiazol-2-yl)cyclobutane-1-carbonitrile?
The IUPAC name of 1-(1,3,4-thiadiazol-2-yl)cyclobutane-1-carbonitrile (CID 130544245) is 1-(1,3,4-thiadiazol-2-yl)cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-(1,3,4-thiadiazol-2-yl)cyclobutane-1-carbonitrile?
The canonical SMILES for 1-(1,3,4-thiadiazol-2-yl)cyclobutane-1-carbonitrile is N#CC1(c2nncs2)CCC1.
What is the InChIKey of 1-(1,3,4-thiadiazol-2-yl)cyclobutane-1-carbonitrile?
The InChIKey is NFNOPBCWZBWCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3S/c8-4-7(2-1-3-7)6-10-9-5-11-6/h5H,1-3H2.
What are the key properties of 1-(1,3,4-thiadiazol-2-yl)cyclobutane-1-carbonitrile?
1-(1,3,4-thiadiazol-2-yl)cyclobutane-1-carbonitrile has a molecular weight of 165.22 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4-thiadiazol-2-yl)cyclobutane-1-carbonitrile is sourced from PubChem (CID 130544245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).