1-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopropane-1-carbonitrile

C7H8N4OS — CID 163391215

IUPAC1-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopropane-1-carbonitrile
SMILESN#CC1(COc2nnc(N)s2)CC1
InChIInChI=1S/C7H8N4OS/c8-3-7(1-2-7)4-12-6-11-10-5(9)13-6/h1-2,4H2,(H2,9,10)
InChIKeyRRZUCNFTWNRGBL-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.80
Rot. Bonds3

About 1-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopropane-1-carbonitrile

1-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopropane-1-carbonitrile (PubChem CID 163391215) has the molecular formula C7H8N4OS and a molecular weight of 196.23 g/mol. Its IUPAC name is 1-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopropane-1-carbonitrile
PubChem CID163391215
Molecular FormulaC7H8N4OS
Molecular Weight196.23 g/mol
Exact Mass196.04
IUPAC Name1-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopropane-1-carbonitrile
SMILESN#CC1(COc2nnc(N)s2)CC1
InChIInChI=1S/C7H8N4OS/c8-3-7(1-2-7)4-12-6-11-10-5(9)13-6/h1-2,4H2,(H2,9,10)
InChIKeyRRZUCNFTWNRGBL-UHFFFAOYSA-N
XLogP0.80
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopropane-1-carbonitrile (CID 163391215) is 1-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopropane-1-carbonitrile is N#CC1(COc2nnc(N)s2)CC1.
What is the InChIKey of 1-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopropane-1-carbonitrile?
The InChIKey is RRZUCNFTWNRGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c8-3-7(1-2-7)4-12-6-11-10-5(9)13-6/h1-2,4H2,(H2,9,10).
What are the key properties of 1-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopropane-1-carbonitrile?
1-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopropane-1-carbonitrile has a molecular weight of 196.23 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1,3,4-thiadiazol-2-yl)oxymethyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 163391215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).