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

C10H15N3O2S — CID 66237908

IUPAC4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCCc1nccs1
InChIInChI=1S/C10H15N3O2S/c11-8-6-15-5-7(8)10(14)13-2-1-9-12-3-4-16-9/h3-4,7-8H,1-2,5-6,11H2,(H,13,14)
InChIKeyLETDEMVSIKJEDY-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.22
Rot. Bonds4

About 4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide

4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide (PubChem CID 66237908) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
PubChem CID66237908
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)NCCc1nccs1
InChIInChI=1S/C10H15N3O2S/c11-8-6-15-5-7(8)10(14)13-2-1-9-12-3-4-16-9/h3-4,7-8H,1-2,5-6,11H2,(H,13,14)
InChIKeyLETDEMVSIKJEDY-UHFFFAOYSA-N
XLogP-0.22
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide (CID 66237908) is 4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide is NC1COCC1C(=O)NCCc1nccs1.
What is the InChIKey of 4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is LETDEMVSIKJEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c11-8-6-15-5-7(8)10(14)13-2-1-9-12-3-4-16-9/h3-4,7-8H,1-2,5-6,11H2,(H,13,14).
What are the key properties of 4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 241.32 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 66237908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).