N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide

C10H7N5OS2 — CID 47343912

IUPACN-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)c1cnsn1
InChIInChI=1S/C10H7N5OS2/c16-10(7-5-11-18-15-7)12-9-4-6(13-14-9)8-2-1-3-17-8/h1-5H,(H2,12,13,14,16)
InChIKeyWLYXHZBOSJBFJB-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.24
Rot. Bonds3

About N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide

N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide (PubChem CID 47343912) has the molecular formula C10H7N5OS2 and a molecular weight of 277.33 g/mol. Its IUPAC name is N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide
PubChem CID47343912
Molecular FormulaC10H7N5OS2
Molecular Weight277.33 g/mol
Exact Mass277.01
IUPAC NameN-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide
SMILESO=C(Nc1cc(-c2cccs2)[nH]n1)c1cnsn1
InChIInChI=1S/C10H7N5OS2/c16-10(7-5-11-18-15-7)12-9-4-6(13-14-9)8-2-1-3-17-8/h1-5H,(H2,12,13,14,16)
InChIKeyWLYXHZBOSJBFJB-UHFFFAOYSA-N
XLogP2.24
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide?
The IUPAC name of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide (CID 47343912) is N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide.
What is the SMILES notation for N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide?
The canonical SMILES for N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide is O=C(Nc1cc(-c2cccs2)[nH]n1)c1cnsn1.
What is the InChIKey of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide?
The InChIKey is WLYXHZBOSJBFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5OS2/c16-10(7-5-11-18-15-7)12-9-4-6(13-14-9)8-2-1-3-17-8/h1-5H,(H2,12,13,14,16).
What are the key properties of N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide?
N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-thiophen-2-yl-1H-pyrazol-3-yl)-1,2,5-thiadiazole-3-carboxamide is sourced from PubChem (CID 47343912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).