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

C10H15N3O2S — CID 64891430

IUPAC3-amino-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NCCc2cscn2)CCOC1
InChIInChI=1S/C10H15N3O2S/c11-10(2-4-15-6-10)9(14)12-3-1-8-5-16-7-13-8/h5,7H,1-4,6,11H2,(H,12,14)
InChIKeyNBVSCSLAXBRTCQ-UHFFFAOYSA-N
MW241.32 g/mol
LogP-0.08
Rot. Bonds4

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

3-amino-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide (PubChem CID 64891430) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-amino-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide
PubChem CID64891430
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name3-amino-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide
SMILESNC1(C(=O)NCCc2cscn2)CCOC1
InChIInChI=1S/C10H15N3O2S/c11-10(2-4-15-6-10)9(14)12-3-1-8-5-16-7-13-8/h5,7H,1-4,6,11H2,(H,12,14)
InChIKeyNBVSCSLAXBRTCQ-UHFFFAOYSA-N
XLogP-0.08
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 ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide (CID 64891430) is 3-amino-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide is NC1(C(=O)NCCc2cscn2)CCOC1.
What is the InChIKey of 3-amino-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is NBVSCSLAXBRTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c11-10(2-4-15-6-10)9(14)12-3-1-8-5-16-7-13-8/h5,7H,1-4,6,11H2,(H,12,14).
What are the key properties of 3-amino-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide?
3-amino-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 241.32 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1,3-thiazol-4-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 64891430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).