N-(4-acetyl-1,3-thiazol-2-yl)-3-aminooxolane-3-carboxamide

C10H13N3O3S — CID 64892642

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-3-aminooxolane-3-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2(N)CCOC2)n1
InChIInChI=1S/C10H13N3O3S/c1-6(14)7-4-17-9(12-7)13-8(15)10(11)2-3-16-5-10/h4H,2-3,5,11H2,1H3,(H,12,13,15)
InChIKeyQUPPNGNEFYYMCU-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.40
Rot. Bonds3

About N-(4-acetyl-1,3-thiazol-2-yl)-3-aminooxolane-3-carboxamide

N-(4-acetyl-1,3-thiazol-2-yl)-3-aminooxolane-3-carboxamide (PubChem CID 64892642) has the molecular formula C10H13N3O3S and a molecular weight of 255.30 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-3-aminooxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-3-aminooxolane-3-carboxamide
PubChem CID64892642
Molecular FormulaC10H13N3O3S
Molecular Weight255.30 g/mol
Exact Mass255.07
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-3-aminooxolane-3-carboxamide
SMILESCC(=O)c1csc(NC(=O)C2(N)CCOC2)n1
InChIInChI=1S/C10H13N3O3S/c1-6(14)7-4-17-9(12-7)13-8(15)10(11)2-3-16-5-10/h4H,2-3,5,11H2,1H3,(H,12,13,15)
InChIKeyQUPPNGNEFYYMCU-UHFFFAOYSA-N
XLogP0.40
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-aminooxolane-3-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-3-aminooxolane-3-carboxamide (CID 64892642) is N-(4-acetyl-1,3-thiazol-2-yl)-3-aminooxolane-3-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-3-aminooxolane-3-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-3-aminooxolane-3-carboxamide is CC(=O)c1csc(NC(=O)C2(N)CCOC2)n1.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-3-aminooxolane-3-carboxamide?
The InChIKey is QUPPNGNEFYYMCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3S/c1-6(14)7-4-17-9(12-7)13-8(15)10(11)2-3-16-5-10/h4H,2-3,5,11H2,1H3,(H,12,13,15).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-3-aminooxolane-3-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-3-aminooxolane-3-carboxamide has a molecular weight of 255.30 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-3-aminooxolane-3-carboxamide is sourced from PubChem (CID 64892642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).