5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

C11H21N3O2S — CID 103360266

IUPAC5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCOCCCCNc1snc(N)c1OC(C)C
InChIInChI=1S/C11H21N3O2S/c1-8(2)16-9-10(12)14-17-11(9)13-6-4-5-7-15-3/h8,13H,4-7H2,1-3H3,(H2,12,14)
InChIKeyBGIZBIVBSGYXMA-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.35
Rot. Bonds8

About 5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (PubChem CID 103360266) has the molecular formula C11H21N3O2S and a molecular weight of 259.38 g/mol. Its IUPAC name is 5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
PubChem CID103360266
Molecular FormulaC11H21N3O2S
Molecular Weight259.38 g/mol
Exact Mass259.14
IUPAC Name5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCOCCCCNc1snc(N)c1OC(C)C
InChIInChI=1S/C11H21N3O2S/c1-8(2)16-9-10(12)14-17-11(9)13-6-4-5-7-15-3/h8,13H,4-7H2,1-3H3,(H2,12,14)
InChIKeyBGIZBIVBSGYXMA-UHFFFAOYSA-N
XLogP2.35
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.35
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-(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
1-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]pentan-3-ol
CID 103365683
4-propan-2-yloxy-5-N-(3-pyrazol-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103365233
5-N-(3-methoxypropyl)-4-methyl-1,2-thiazole-3,5-diamine
CID 103363859
4-methoxy-5-N-[2-(2-methoxyethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103379304
5-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150463
5-N-hexan-2-yl-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360909
3-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103365194
5-(2,2-dimethylhydrazinyl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103364840
3-amino-5-(3-methoxypropylamino)-1,2-thiazole-4-carboxamide
CID 103382771
3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide
CID 106015602

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (CID 103360266) is 5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is COCCCCNc1snc(N)c1OC(C)C.
What is the InChIKey of 5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The InChIKey is BGIZBIVBSGYXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2S/c1-8(2)16-9-10(12)14-17-11(9)13-6-4-5-7-15-3/h8,13H,4-7H2,1-3H3,(H2,12,14).
What are the key properties of 5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine has a molecular weight of 259.38 g/mol, XLogP of 2.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).