(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide

C12H19N3O2S — CID 126432610

IUPAC(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide
SMILESC[C@]1(C(=O)NCCCc2csc(N)n2)CCCO1
InChIInChI=1S/C12H19N3O2S/c1-12(5-3-7-17-12)10(16)14-6-2-4-9-8-18-11(13)15-9/h8H,2-7H2,1H3,(H2,13,15)(H,14,16)/t12-/m1/s1
InChIKeyXQBRQZYGKKAOSI-GFCCVEGCSA-N
MW269.37 g/mol
LogP1.34
Rot. Bonds5

About (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide

(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide (PubChem CID 126432610) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide
PubChem CID126432610
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide
SMILESC[C@]1(C(=O)NCCCc2csc(N)n2)CCCO1
InChIInChI=1S/C12H19N3O2S/c1-12(5-3-7-17-12)10(16)14-6-2-4-9-8-18-11(13)15-9/h8H,2-7H2,1H3,(H2,13,15)(H,14,16)/t12-/m1/s1
InChIKeyXQBRQZYGKKAOSI-GFCCVEGCSA-N
XLogP1.34
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide (CID 126432610) is (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide is C[C@]1(C(=O)NCCCc2csc(N)n2)CCCO1.
What is the InChIKey of (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide?
The InChIKey is XQBRQZYGKKAOSI-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-12(5-3-7-17-12)10(16)14-6-2-4-9-8-18-11(13)15-9/h8H,2-7H2,1H3,(H2,13,15)(H,14,16)/t12-/m1/s1.
What are the key properties of (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide?
(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-methyloxolane-2-carboxamide is sourced from PubChem (CID 126432610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).