N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide

C12H21N3O2S — CID 43226283

IUPACN-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNC(C)COC)cs1
InChIInChI=1S/C12H21N3O2S/c1-5-15(10(3)16)12-14-11(8-18-12)6-13-9(2)7-17-4/h8-9,13H,5-7H2,1-4H3
InChIKeySHUIEYORHFMUSZ-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.64
Rot. Bonds7

About N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide

N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 43226283) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID43226283
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide
SMILESCCN(C(C)=O)c1nc(CNC(C)COC)cs1
InChIInChI=1S/C12H21N3O2S/c1-5-15(10(3)16)12-14-11(8-18-12)6-13-9(2)7-17-4/h8-9,13H,5-7H2,1-4H3
InChIKeySHUIEYORHFMUSZ-UHFFFAOYSA-N
XLogP1.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide 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 N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide (CID 43226283) is N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide is CCN(C(C)=O)c1nc(CNC(C)COC)cs1.
What is the InChIKey of N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is SHUIEYORHFMUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-5-15(10(3)16)12-14-11(8-18-12)6-13-9(2)7-17-4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide?
N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 271.39 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[4-[(1-methoxypropan-2-ylamino)methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 43226283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).