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

C11H17N3O2S — CID 64892636

IUPAC3-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
SMILESCc1csc(C(C)NC(=O)C2(N)CCOC2)n1
InChIInChI=1S/C11H17N3O2S/c1-7-5-17-9(13-7)8(2)14-10(15)11(12)3-4-16-6-11/h5,8H,3-4,6,12H2,1-2H3,(H,14,15)
InChIKeyVHDXWLPTQXMDEZ-UHFFFAOYSA-N
MW255.34 g/mol
LogP0.75
Rot. Bonds3

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

3-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide (PubChem CID 64892636) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
PubChem CID64892636
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name3-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
SMILESCc1csc(C(C)NC(=O)C2(N)CCOC2)n1
InChIInChI=1S/C11H17N3O2S/c1-7-5-17-9(13-7)8(2)14-10(15)11(12)3-4-16-6-11/h5,8H,3-4,6,12H2,1-2H3,(H,14,15)
InChIKeyVHDXWLPTQXMDEZ-UHFFFAOYSA-N
XLogP0.75
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 50.75
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-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide (CID 64892636) is 3-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide is Cc1csc(C(C)NC(=O)C2(N)CCOC2)n1.
What is the InChIKey of 3-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
The InChIKey is VHDXWLPTQXMDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-7-5-17-9(13-7)8(2)14-10(15)11(12)3-4-16-6-11/h5,8H,3-4,6,12H2,1-2H3,(H,14,15).
What are the key properties of 3-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide?
3-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 0.75, 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-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 64892636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).