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

C8H10N4OS — CID 130671350

IUPAC1-[[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CNc2nnc(CO)s2)CC1
InChIInChI=1S/C8H10N4OS/c9-4-8(1-2-8)5-10-7-12-11-6(3-13)14-7/h13H,1-3,5H2,(H,10,12)
InChIKeyHMMWYIWSWSBTCD-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.75
Rot. Bonds4

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

1-[[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropane-1-carbonitrile (PubChem CID 130671350) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is 1-[[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropane-1-carbonitrile
PubChem CID130671350
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC Name1-[[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(CNc2nnc(CO)s2)CC1
InChIInChI=1S/C8H10N4OS/c9-4-8(1-2-8)5-10-7-12-11-6(3-13)14-7/h13H,1-3,5H2,(H,10,12)
InChIKeyHMMWYIWSWSBTCD-UHFFFAOYSA-N
XLogP0.75
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropane-1-carbonitrile (CID 130671350) is 1-[[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropane-1-carbonitrile is N#CC1(CNc2nnc(CO)s2)CC1.
What is the InChIKey of 1-[[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropane-1-carbonitrile?
The InChIKey is HMMWYIWSWSBTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c9-4-8(1-2-8)5-10-7-12-11-6(3-13)14-7/h13H,1-3,5H2,(H,10,12).
What are the key properties of 1-[[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropane-1-carbonitrile?
1-[[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropane-1-carbonitrile has a molecular weight of 210.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[5-(hydroxymethyl)-1,3,4-thiadiazol-2-yl]amino]methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 130671350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).