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

C11H17N3O2S — CID 64892823

IUPAC3-amino-N-[1-(1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide
SMILESCCC(NC(=O)C1(N)CCOC1)c1nccs1
InChIInChI=1S/C11H17N3O2S/c1-2-8(9-13-4-6-17-9)14-10(15)11(12)3-5-16-7-11/h4,6,8H,2-3,5,7,12H2,1H3,(H,14,15)
InChIKeyRTLYMMVBMHRMAU-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.83
Rot. Bonds4

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

3-amino-N-[1-(1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide (PubChem CID 64892823) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-amino-N-[1-(1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide
PubChem CID64892823
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name3-amino-N-[1-(1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide
SMILESCCC(NC(=O)C1(N)CCOC1)c1nccs1
InChIInChI=1S/C11H17N3O2S/c1-2-8(9-13-4-6-17-9)14-10(15)11(12)3-5-16-7-11/h4,6,8H,2-3,5,7,12H2,1H3,(H,14,15)
InChIKeyRTLYMMVBMHRMAU-UHFFFAOYSA-N
XLogP0.83
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.83
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)propyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[1-(1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide (CID 64892823) is 3-amino-N-[1-(1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[1-(1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide is CCC(NC(=O)C1(N)CCOC1)c1nccs1.
What is the InChIKey of 3-amino-N-[1-(1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide?
The InChIKey is RTLYMMVBMHRMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-2-8(9-13-4-6-17-9)14-10(15)11(12)3-5-16-7-11/h4,6,8H,2-3,5,7,12H2,1H3,(H,14,15).
What are the key properties of 3-amino-N-[1-(1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide?
3-amino-N-[1-(1,3-thiazol-2-yl)propyl]oxolane-3-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.83, 4 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)propyl]oxolane-3-carboxamide is sourced from PubChem (CID 64892823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).