N-(3-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide

C6H9N3O2S — CID 5149235

IUPACN-(3-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCCCO)c1cnsn1
InChIInChI=1S/C6H9N3O2S/c10-3-1-2-7-6(11)5-4-8-12-9-5/h4,10H,1-3H2,(H,7,11)
InChIKeyUBHVGTJDTBEUBQ-UHFFFAOYSA-N
MW187.22 g/mol
LogP-0.35
Rot. Bonds4

About N-(3-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide

N-(3-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 5149235) has the molecular formula C6H9N3O2S and a molecular weight of 187.22 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID5149235
Molecular FormulaC6H9N3O2S
Molecular Weight187.22 g/mol
Exact Mass187.04
IUPAC NameN-(3-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(NCCCO)c1cnsn1
InChIInChI=1S/C6H9N3O2S/c10-3-1-2-7-6(11)5-4-8-12-9-5/h4,10H,1-3H2,(H,7,11)
InChIKeyUBHVGTJDTBEUBQ-UHFFFAOYSA-N
XLogP-0.35
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.22
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide (CID 5149235) is N-(3-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide is O=C(NCCCO)c1cnsn1.
What is the InChIKey of N-(3-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is UBHVGTJDTBEUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2S/c10-3-1-2-7-6(11)5-4-8-12-9-5/h4,10H,1-3H2,(H,7,11).
What are the key properties of N-(3-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide?
N-(3-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 187.22 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 5149235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).