N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide

C10H17N3OS2 — CID 91785606

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide
SMILESCCSCCC(=O)NCCc1csc(N)n1
InChIInChI=1S/C10H17N3OS2/c1-2-15-6-4-9(14)12-5-3-8-7-16-10(11)13-8/h7H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyKMMTWPLSGNAUAX-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.53
Rot. Bonds7

About N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide (PubChem CID 91785606) has the molecular formula C10H17N3OS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide
PubChem CID91785606
Molecular FormulaC10H17N3OS2
Molecular Weight259.40 g/mol
Exact Mass259.08
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide
SMILESCCSCCC(=O)NCCc1csc(N)n1
InChIInChI=1S/C10H17N3OS2/c1-2-15-6-4-9(14)12-5-3-8-7-16-10(11)13-8/h7H,2-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyKMMTWPLSGNAUAX-UHFFFAOYSA-N
XLogP1.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.53
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

1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propylurea
CID 110747798
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047488
3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-chlorophenyl)ethyl]propanamide
CID 110330138
3-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 131951418
1-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-propan-2-ylurea
CID 110747799
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 110717883
methyl 3-[(2-amino-1,3-thiazol-4-yl)methylsulfanyl]propanoate
CID 43617626
N-[2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62798939
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]adamantane-1-carboxamide
CID 110717869
2-amino-N-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 122567185
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 63240016
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-4-bromobenzamide
CID 110717823

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide (CID 91785606) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide is CCSCCC(=O)NCCc1csc(N)n1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide?
The InChIKey is KMMTWPLSGNAUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS2/c1-2-15-6-4-9(14)12-5-3-8-7-16-10(11)13-8/h7H,2-6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide has a molecular weight of 259.40 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-3-ethylsulfanylpropanamide is sourced from PubChem (CID 91785606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).