2-(1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile

C10H11N3S — CID 130544487

IUPAC2-(1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile
SMILESN#CC1(c2nncs2)CC2CCC1C2
InChIInChI=1S/C10H11N3S/c11-5-10(9-13-12-6-14-9)4-7-1-2-8(10)3-7/h6-8H,1-4H2
InChIKeyCJUZBKMUYNWVLV-UHFFFAOYSA-N
MW205.29 g/mol
LogP2.12
Rot. Bonds1

About 2-(1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile

2-(1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile (PubChem CID 130544487) has the molecular formula C10H11N3S and a molecular weight of 205.29 g/mol. Its IUPAC name is 2-(1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile.

Molecular Properties

Compound Name2-(1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile
PubChem CID130544487
Molecular FormulaC10H11N3S
Molecular Weight205.29 g/mol
Exact Mass205.07
IUPAC Name2-(1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile
SMILESN#CC1(c2nncs2)CC2CCC1C2
InChIInChI=1S/C10H11N3S/c11-5-10(9-13-12-6-14-9)4-7-1-2-8(10)3-7/h6-8H,1-4H2
InChIKeyCJUZBKMUYNWVLV-UHFFFAOYSA-N
XLogP2.12
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile?
The IUPAC name of 2-(1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile (CID 130544487) is 2-(1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile.
What is the SMILES notation for 2-(1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile?
The canonical SMILES for 2-(1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile is N#CC1(c2nncs2)CC2CCC1C2.
What is the InChIKey of 2-(1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile?
The InChIKey is CJUZBKMUYNWVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3S/c11-5-10(9-13-12-6-14-9)4-7-1-2-8(10)3-7/h6-8H,1-4H2.
What are the key properties of 2-(1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile?
2-(1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile has a molecular weight of 205.29 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,4-thiadiazol-2-yl)bicyclo[2.2.1]heptane-2-carbonitrile is sourced from PubChem (CID 130544487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).