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

C12H23N3O2S — CID 114137469

IUPAC4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCCCCOC(C)C
InChIInChI=1S/C12H23N3O2S/c1-4-16-10-11(13)15-18-12(10)14-7-5-6-8-17-9(2)3/h9,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyRRCMBWAYPGNXCO-UHFFFAOYSA-N
MW273.40 g/mol
LogP2.74
Rot. Bonds9

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

4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine (PubChem CID 114137469) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine
PubChem CID114137469
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCCCCOC(C)C
InChIInChI=1S/C12H23N3O2S/c1-4-16-10-11(13)15-18-12(10)14-7-5-6-8-17-9(2)3/h9,14H,4-8H2,1-3H3,(H2,13,15)
InChIKeyRRCMBWAYPGNXCO-UHFFFAOYSA-N
XLogP2.74
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 52.74
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
5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide
CID 114162925
5-N-(4-methoxybutyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360266
3-amino-N-propan-2-yl-5-(4-propan-2-yloxybutylamino)-1,2-thiazole-4-carboxamide
CID 106015602
4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine
CID 103365604
4-ethoxy-5-N-octan-2-yl-1,2-thiazole-3,5-diamine
CID 103360011
4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103365436
4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 106327712
ethyl 5-(4-propan-2-yloxybutylamino)-1,3-thiazole-4-carboxylate
CID 106015850
4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364283
4-ethoxy-5-N-hexan-3-yl-1,2-thiazole-3,5-diamine
CID 103360878
2-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]-N-tert-butylpropanamide
CID 103365089

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine (CID 114137469) is 4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1NCCCCOC(C)C.
What is the InChIKey of 4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine?
The InChIKey is RRCMBWAYPGNXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-4-16-10-11(13)15-18-12(10)14-7-5-6-8-17-9(2)3/h9,14H,4-8H2,1-3H3,(H2,13,15).
What are the key properties of 4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine?
4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine has a molecular weight of 273.40 g/mol, XLogP of 2.74, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 114137469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).