3-amino-N-[1-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide

C10H15N3O2S — CID 64892824

IUPAC3-amino-N-[1-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
SMILESCC(NC(=O)C1(N)CCOC1)c1nccs1
InChIInChI=1S/C10H15N3O2S/c1-7(8-12-3-5-16-8)13-9(14)10(11)2-4-15-6-10/h3,5,7H,2,4,6,11H2,1H3,(H,13,14)
InChIKeySSSVGODLJZEFOV-UHFFFAOYSA-N
MW241.32 g/mol
LogP0.44
Rot. Bonds3

About 3-amino-N-[1-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide

3-amino-N-[1-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide (PubChem CID 64892824) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-amino-N-[1-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
PubChem CID64892824
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-amino-N-[1-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
SMILESCC(NC(=O)C1(N)CCOC1)c1nccs1
InChIInChI=1S/C10H15N3O2S/c1-7(8-12-3-5-16-8)13-9(14)10(11)2-4-15-6-10/h3,5,7H,2,4,6,11H2,1H3,(H,13,14)
InChIKeySSSVGODLJZEFOV-UHFFFAOYSA-N
XLogP0.44
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[1-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide (CID 64892824) is 3-amino-N-[1-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[1-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide is CC(NC(=O)C1(N)CCOC1)c1nccs1.
What is the InChIKey of 3-amino-N-[1-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is SSSVGODLJZEFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-7(8-12-3-5-16-8)13-9(14)10(11)2-4-15-6-10/h3,5,7H,2,4,6,11H2,1H3,(H,13,14).
What are the key properties of 3-amino-N-[1-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
3-amino-N-[1-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 241.32 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 64892824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).