2-N-[2-(3-methylbutoxy)ethyl]-1,3-thiazole-2,5-diamine

C10H19N3OS — CID 102768178

IUPAC2-N-[2-(3-methylbutoxy)ethyl]-1,3-thiazole-2,5-diamine
SMILESCC(C)CCOCCNc1ncc(N)s1
InChIInChI=1S/C10H19N3OS/c1-8(2)3-5-14-6-4-12-10-13-7-9(11)15-10/h7-8H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyBCMBDKUIMCXMJE-UHFFFAOYSA-N
MW229.35 g/mol
LogP2.20
Rot. Bonds7

About 2-N-[2-(3-methylbutoxy)ethyl]-1,3-thiazole-2,5-diamine

2-N-[2-(3-methylbutoxy)ethyl]-1,3-thiazole-2,5-diamine (PubChem CID 102768178) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 2-N-[2-(3-methylbutoxy)ethyl]-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[2-(3-methylbutoxy)ethyl]-1,3-thiazole-2,5-diamine
PubChem CID102768178
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name2-N-[2-(3-methylbutoxy)ethyl]-1,3-thiazole-2,5-diamine
SMILESCC(C)CCOCCNc1ncc(N)s1
InChIInChI=1S/C10H19N3OS/c1-8(2)3-5-14-6-4-12-10-13-7-9(11)15-10/h7-8H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyBCMBDKUIMCXMJE-UHFFFAOYSA-N
XLogP2.20
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 52.20
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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Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3-methylbutoxy)ethyl]-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-[2-(3-methylbutoxy)ethyl]-1,3-thiazole-2,5-diamine (CID 102768178) is 2-N-[2-(3-methylbutoxy)ethyl]-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-[2-(3-methylbutoxy)ethyl]-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-[2-(3-methylbutoxy)ethyl]-1,3-thiazole-2,5-diamine is CC(C)CCOCCNc1ncc(N)s1.
What is the InChIKey of 2-N-[2-(3-methylbutoxy)ethyl]-1,3-thiazole-2,5-diamine?
The InChIKey is BCMBDKUIMCXMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-8(2)3-5-14-6-4-12-10-13-7-9(11)15-10/h7-8H,3-6,11H2,1-2H3,(H,12,13).
What are the key properties of 2-N-[2-(3-methylbutoxy)ethyl]-1,3-thiazole-2,5-diamine?
2-N-[2-(3-methylbutoxy)ethyl]-1,3-thiazole-2,5-diamine has a molecular weight of 229.35 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-methylbutoxy)ethyl]-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).