3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide

C12H21N3O2S — CID 64557080

IUPAC3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCCNC(C)c1csc(NC(=O)CCOCC)n1
InChIInChI=1S/C12H21N3O2S/c1-4-13-9(3)10-8-18-12(14-10)15-11(16)6-7-17-5-2/h8-9,13H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyYSZXXOAYPJZKNE-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.18
Rot. Bonds8

About 3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide

3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 64557080) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
PubChem CID64557080
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
SMILESCCNC(C)c1csc(NC(=O)CCOCC)n1
InChIInChI=1S/C12H21N3O2S/c1-4-13-9(3)10-8-18-12(14-10)15-11(16)6-7-17-5-2/h8-9,13H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyYSZXXOAYPJZKNE-UHFFFAOYSA-N
XLogP2.18
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-propoxypropanamide
CID 64556081
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide
CID 64555493
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-methoxyacetamide
CID 64557469
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide
CID 64555491
3-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-1,1-dimethylurea
CID 79153399
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 64555885
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 64558061
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2-(3-hydroxyphenyl)acetamide
CID 64556677
3-methyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]butanamide
CID 64556483
2-chloro-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]benzamide
CID 64555687
2-methylsulfonyl-N-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]acetamide
CID 64558074
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-2,4,5-trimethylfuran-3-carboxamide
CID 65151630

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide (CID 64557080) is 3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide is CCNC(C)c1csc(NC(=O)CCOCC)n1.
What is the InChIKey of 3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is YSZXXOAYPJZKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-4-13-9(3)10-8-18-12(14-10)15-11(16)6-7-17-5-2/h8-9,13H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide?
3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 271.39 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 64557080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).