N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-methyloxolane-3-carboxamide

C11H17N3O2S — CID 79758731

IUPACN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-methyloxolane-3-carboxamide
SMILESCC(N)c1csc(NC(=O)C2CCOC2C)n1
InChIInChI=1S/C11H17N3O2S/c1-6(12)9-5-17-11(13-9)14-10(15)8-3-4-16-7(8)2/h5-8H,3-4,12H2,1-2H3,(H,13,14,15)
InChIKeyZPMIIRTXLRMXPX-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.53
Rot. Bonds3

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

N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-methyloxolane-3-carboxamide (PubChem CID 79758731) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-methyloxolane-3-carboxamide
PubChem CID79758731
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC NameN-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-methyloxolane-3-carboxamide
SMILESCC(N)c1csc(NC(=O)C2CCOC2C)n1
InChIInChI=1S/C11H17N3O2S/c1-6(12)9-5-17-11(13-9)14-10(15)8-3-4-16-7(8)2/h5-8H,3-4,12H2,1-2H3,(H,13,14,15)
InChIKeyZPMIIRTXLRMXPX-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-methyloxolane-3-carboxamide (CID 79758731) is N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-methyloxolane-3-carboxamide is CC(N)c1csc(NC(=O)C2CCOC2C)n1.
What is the InChIKey of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-methyloxolane-3-carboxamide?
The InChIKey is ZPMIIRTXLRMXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-6(12)9-5-17-11(13-9)14-10(15)8-3-4-16-7(8)2/h5-8H,3-4,12H2,1-2H3,(H,13,14,15).
What are the key properties of N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-methyloxolane-3-carboxamide?
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-methyloxolane-3-carboxamide has a molecular weight of 255.34 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 79758731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).