N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide

C8H10N2O2S — CID 80713032

IUPACN-(oxolan-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCOC1)c1cscn1
InChIInChI=1S/C8H10N2O2S/c11-8(7-4-13-5-9-7)10-6-1-2-12-3-6/h4-6H,1-3H2,(H,10,11)
InChIKeyOBBORTPRCDDVCG-UHFFFAOYSA-N
MW198.25 g/mol
LogP0.66
Rot. Bonds2

About N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide

N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 80713032) has the molecular formula C8H10N2O2S and a molecular weight of 198.25 g/mol. Its IUPAC name is N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(oxolan-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID80713032
Molecular FormulaC8H10N2O2S
Molecular Weight198.25 g/mol
Exact Mass198.05
IUPAC NameN-(oxolan-3-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCOC1)c1cscn1
InChIInChI=1S/C8H10N2O2S/c11-8(7-4-13-5-9-7)10-6-1-2-12-3-6/h4-6H,1-3H2,(H,10,11)
InChIKeyOBBORTPRCDDVCG-UHFFFAOYSA-N
XLogP0.66
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide (CID 80713032) is N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide is O=C(NC1CCOC1)c1cscn1.
What is the InChIKey of N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is OBBORTPRCDDVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2S/c11-8(7-4-13-5-9-7)10-6-1-2-12-3-6/h4-6H,1-3H2,(H,10,11).
What are the key properties of N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide?
N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 198.25 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 80713032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).