5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide

C10H18N4O2S — CID 114162925

IUPAC5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide
SMILESCCOc1c(N)nsc1NCCCCC(N)=O
InChIInChI=1S/C10H18N4O2S/c1-2-16-8-9(12)14-17-10(8)13-6-4-3-5-7(11)15/h13H,2-6H2,1H3,(H2,11,15)(H2,12,14)
InChIKeyCHKZVYVYABNKGY-UHFFFAOYSA-N
MW258.35 g/mol
LogP1.19
Rot. Bonds8

About 5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide

5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide (PubChem CID 114162925) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide
PubChem CID114162925
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide
SMILESCCOc1c(N)nsc1NCCCCC(N)=O
InChIInChI=1S/C10H18N4O2S/c1-2-16-8-9(12)14-17-10(8)13-6-4-3-5-7(11)15/h13H,2-6H2,1H3,(H2,11,15)(H2,12,14)
InChIKeyCHKZVYVYABNKGY-UHFFFAOYSA-N
XLogP1.19
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine
CID 103363858
4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine
CID 114137469
4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine
CID 103365604
4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103365436
methyl 3-amino-5-(octylamino)-1,2-thiazole-4-carboxylate
CID 103383798
4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 106327712
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]-N-tert-butylpropanamide
CID 103365089
2-[2-[(3-amino-4-methoxy-1,2-thiazol-5-yl)amino]ethoxy]acetamide
CID 106242128
methyl 3-amino-5-(3-hydroxypropylamino)-1,2-thiazole-4-carboxylate
CID 103382712
ethyl 3-amino-5-(3-cyclopropylpropylamino)-1,2-thiazole-4-carboxylate
CID 103384598
4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364283
4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359710

Frequently Asked Questions

What is the IUPAC name of 5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide?
The IUPAC name of 5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide (CID 114162925) is 5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide.
What is the SMILES notation for 5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide?
The canonical SMILES for 5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide is CCOc1c(N)nsc1NCCCCC(N)=O.
What is the InChIKey of 5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide?
The InChIKey is CHKZVYVYABNKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-2-16-8-9(12)14-17-10(8)13-6-4-3-5-7(11)15/h13H,2-6H2,1H3,(H2,11,15)(H2,12,14).
What are the key properties of 5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide?
5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide has a molecular weight of 258.35 g/mol, XLogP of 1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide is sourced from PubChem (CID 114162925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).