2-N-(2-butoxyethyl)-1,3-thiazole-2,5-diamine

C9H17N3OS — CID 102768179

IUPAC2-N-(2-butoxyethyl)-1,3-thiazole-2,5-diamine
SMILESCCCCOCCNc1ncc(N)s1
InChIInChI=1S/C9H17N3OS/c1-2-3-5-13-6-4-11-9-12-7-8(10)14-9/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyCSFDPQTXBCFKOP-UHFFFAOYSA-N
MW215.32 g/mol
LogP1.95
Rot. Bonds7

About 2-N-(2-butoxyethyl)-1,3-thiazole-2,5-diamine

2-N-(2-butoxyethyl)-1,3-thiazole-2,5-diamine (PubChem CID 102768179) has the molecular formula C9H17N3OS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2-N-(2-butoxyethyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-butoxyethyl)-1,3-thiazole-2,5-diamine
PubChem CID102768179
Molecular FormulaC9H17N3OS
Molecular Weight215.32 g/mol
Exact Mass215.11
IUPAC Name2-N-(2-butoxyethyl)-1,3-thiazole-2,5-diamine
SMILESCCCCOCCNc1ncc(N)s1
InChIInChI=1S/C9H17N3OS/c1-2-3-5-13-6-4-11-9-12-7-8(10)14-9/h7H,2-6,10H2,1H3,(H,11,12)
InChIKeyCSFDPQTXBCFKOP-UHFFFAOYSA-N
XLogP1.95
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.95
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-butoxyethyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(2-butoxyethyl)-1,3-thiazole-2,5-diamine (CID 102768179) is 2-N-(2-butoxyethyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2-butoxyethyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(2-butoxyethyl)-1,3-thiazole-2,5-diamine is CCCCOCCNc1ncc(N)s1.
What is the InChIKey of 2-N-(2-butoxyethyl)-1,3-thiazole-2,5-diamine?
The InChIKey is CSFDPQTXBCFKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3OS/c1-2-3-5-13-6-4-11-9-12-7-8(10)14-9/h7H,2-6,10H2,1H3,(H,11,12).
What are the key properties of 2-N-(2-butoxyethyl)-1,3-thiazole-2,5-diamine?
2-N-(2-butoxyethyl)-1,3-thiazole-2,5-diamine has a molecular weight of 215.32 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-butoxyethyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).