N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,5-thiadiazole-3-carboxamide

C8H10N4OS — CID 43594282

IUPACN-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NC1C2CNCC21)c1cnsn1
InChIInChI=1S/C8H10N4OS/c13-8(6-3-10-14-12-6)11-7-4-1-9-2-5(4)7/h3-5,7,9H,1-2H2,(H,11,13)
InChIKeyOEHJSMDYNSDHAL-UHFFFAOYSA-N
MW210.26 g/mol
LogP-0.51
Rot. Bonds2

About N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,5-thiadiazole-3-carboxamide

N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 43594282) has the molecular formula C8H10N4OS and a molecular weight of 210.26 g/mol. Its IUPAC name is N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID43594282
Molecular FormulaC8H10N4OS
Molecular Weight210.26 g/mol
Exact Mass210.06
IUPAC NameN-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NC1C2CNCC21)c1cnsn1
InChIInChI=1S/C8H10N4OS/c13-8(6-3-10-14-12-6)11-7-4-1-9-2-5(4)7/h3-5,7,9H,1-2H2,(H,11,13)
InChIKeyOEHJSMDYNSDHAL-UHFFFAOYSA-N
XLogP-0.51
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,5-thiadiazole-3-carboxamide (CID 43594282) is N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,5-thiadiazole-3-carboxamide is O=C(NC1C2CNCC21)c1cnsn1.
What is the InChIKey of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is OEHJSMDYNSDHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4OS/c13-8(6-3-10-14-12-6)11-7-4-1-9-2-5(4)7/h3-5,7,9H,1-2H2,(H,11,13).
What are the key properties of N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,5-thiadiazole-3-carboxamide?
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 210.26 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 43594282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).