4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine

C9H17N3O2S — CID 103363858

IUPAC4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCCCOC
InChIInChI=1S/C9H17N3O2S/c1-3-14-7-8(10)12-15-9(7)11-5-4-6-13-2/h11H,3-6H2,1-2H3,(H2,10,12)
InChIKeyFOBFUSWRSNJXKD-UHFFFAOYSA-N
MW231.32 g/mol
LogP1.57
Rot. Bonds7

About 4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine

4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103363858) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine
PubChem CID103363858
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCCCOC
InChIInChI=1S/C9H17N3O2S/c1-3-14-7-8(10)12-15-9(7)11-5-4-6-13-2/h11H,3-6H2,1-2H3,(H2,10,12)
InChIKeyFOBFUSWRSNJXKD-UHFFFAOYSA-N
XLogP1.57
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
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-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine
CID 114137469
5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide
CID 114162925
5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103363859
5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360266
4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103365436
3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382771
4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103379304
4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 106327712
4-ethoxy-5-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1,2-thiazole-3,5-diamine
CID 103360108
4-ethylsulfonyl-5-N-[4-(2-methoxyethoxy)butyl]-1,2-thiazole-3,5-diamine
CID 103365343
5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine
CID 103365012
4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364283

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine (CID 103363858) is 4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1NCCCOC.
What is the InChIKey of 4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is FOBFUSWRSNJXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-3-14-7-8(10)12-15-9(7)11-5-4-6-13-2/h11H,3-6H2,1-2H3,(H2,10,12).
What are the key properties of 4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 231.32 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-(3-methoxypropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).