2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide

C12H19N3O2S — CID 82738962

IUPAC2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)N(C)C2CCOC2C)cs1
InChIInChI=1S/C12H19N3O2S/c1-7(13)11-14-9(6-18-11)12(16)15(3)10-4-5-17-8(10)2/h6-8,10H,4-5,13H2,1-3H3
InChIKeyFTIHYZKSAIFVOV-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.41
Rot. Bonds3

About 2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 82738962) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID82738962
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)N(C)C2CCOC2C)cs1
InChIInChI=1S/C12H19N3O2S/c1-7(13)11-14-9(6-18-11)12(16)15(3)10-4-5-17-8(10)2/h6-8,10H,4-5,13H2,1-3H3
InChIKeyFTIHYZKSAIFVOV-UHFFFAOYSA-N
XLogP1.41
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide (CID 82738962) is 2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)N(C)C2CCOC2C)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is FTIHYZKSAIFVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-7(13)11-14-9(6-18-11)12(16)15(3)10-4-5-17-8(10)2/h6-8,10H,4-5,13H2,1-3H3.
What are the key properties of 2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-methyl-N-(2-methyloxolan-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 82738962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).