N-[4-(hydroxymethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide

C10H9N3O2S — CID 64794845

IUPACN-[4-(hydroxymethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)c1cnsn1
InChIInChI=1S/C10H9N3O2S/c14-6-7-1-3-8(4-2-7)12-10(15)9-5-11-16-13-9/h1-5,14H,6H2,(H,12,15)
InChIKeyQAMWHTSCTVSIEB-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.28
Rot. Bonds3

About N-[4-(hydroxymethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide

N-[4-(hydroxymethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide (PubChem CID 64794845) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide
PubChem CID64794845
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC NameN-[4-(hydroxymethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(Nc1ccc(CO)cc1)c1cnsn1
InChIInChI=1S/C10H9N3O2S/c14-6-7-1-3-8(4-2-7)12-10(15)9-5-11-16-13-9/h1-5,14H,6H2,(H,12,15)
InChIKeyQAMWHTSCTVSIEB-UHFFFAOYSA-N
XLogP1.28
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide (CID 64794845) is N-[4-(hydroxymethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide is O=C(Nc1ccc(CO)cc1)c1cnsn1.
What is the InChIKey of N-[4-(hydroxymethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is QAMWHTSCTVSIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c14-6-7-1-3-8(4-2-7)12-10(15)9-5-11-16-13-9/h1-5,14H,6H2,(H,12,15).
What are the key properties of N-[4-(hydroxymethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide?
N-[4-(hydroxymethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)phenyl]-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 64794845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).