2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-1,3-thiazole-4-carboxamide

C12H19N3O2S — CID 66388405

IUPAC2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NCC2CCOCC2)cs1
InChIInChI=1S/C12H19N3O2S/c1-8(13)12-15-10(7-18-12)11(16)14-6-9-2-4-17-5-3-9/h7-9H,2-6,13H2,1H3,(H,14,16)
InChIKeyOEHMZCAAMOUPJN-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.32
Rot. Bonds4

About 2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-1,3-thiazole-4-carboxamide (PubChem CID 66388405) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-1,3-thiazole-4-carboxamide
PubChem CID66388405
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NCC2CCOCC2)cs1
InChIInChI=1S/C12H19N3O2S/c1-8(13)12-15-10(7-18-12)11(16)14-6-9-2-4-17-5-3-9/h7-9H,2-6,13H2,1H3,(H,14,16)
InChIKeyOEHMZCAAMOUPJN-UHFFFAOYSA-N
XLogP1.32
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-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

Related Compounds

2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
1-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-2-(oxan-4-yl)ethanone
CID 116585794
2-(1-aminoethyl)-N-(1,4-dioxan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66388723
2-[[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 66390159
2-(1-aminoethyl)-N-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-1,3-thiazole-4-carboxamide
CID 3762756
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
N-[[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 102736248
2-(2-aminoethyl)-N-(oxolan-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66389079
2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745
2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66375369
2-(1-aminoethyl)-N-(3-propoxypropyl)-1,3-thiazole-4-carboxamide
CID 82939939
2-(1-aminoethyl)-N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-thiazole-4-carboxamide
CID 106175806

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-1,3-thiazole-4-carboxamide (CID 66388405) is 2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)NCC2CCOCC2)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OEHMZCAAMOUPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-8(13)12-15-10(7-18-12)11(16)14-6-9-2-4-17-5-3-9/h7-9H,2-6,13H2,1H3,(H,14,16).
What are the key properties of 2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 269.37 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(oxan-4-ylmethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66388405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).