5-(2-butoxyethyl)-4-methyl-1,3-thiazole

C10H17NOS — CID 23405165

IUPAC5-(2-butoxyethyl)-4-methyl-1,3-thiazole
SMILESCCCCOCCc1scnc1C
InChIInChI=1S/C10H17NOS/c1-3-4-6-12-7-5-10-9(2)11-8-13-10/h8H,3-7H2,1-2H3
InChIKeyXDOGIOAPBKVUDP-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.81
Rot. Bonds6

About 5-(2-butoxyethyl)-4-methyl-1,3-thiazole

5-(2-butoxyethyl)-4-methyl-1,3-thiazole (PubChem CID 23405165) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 5-(2-butoxyethyl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name5-(2-butoxyethyl)-4-methyl-1,3-thiazole
PubChem CID23405165
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name5-(2-butoxyethyl)-4-methyl-1,3-thiazole
SMILESCCCCOCCc1scnc1C
InChIInChI=1S/C10H17NOS/c1-3-4-6-12-7-5-10-9(2)11-8-13-10/h8H,3-7H2,1-2H3
InChIKeyXDOGIOAPBKVUDP-UHFFFAOYSA-N
XLogP2.81
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 5-(2-butoxyethyl)-4-methyl-1,3-thiazole?
The IUPAC name of 5-(2-butoxyethyl)-4-methyl-1,3-thiazole (CID 23405165) is 5-(2-butoxyethyl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 5-(2-butoxyethyl)-4-methyl-1,3-thiazole?
The canonical SMILES for 5-(2-butoxyethyl)-4-methyl-1,3-thiazole is CCCCOCCc1scnc1C.
What is the InChIKey of 5-(2-butoxyethyl)-4-methyl-1,3-thiazole?
The InChIKey is XDOGIOAPBKVUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-3-4-6-12-7-5-10-9(2)11-8-13-10/h8H,3-7H2,1-2H3.
What are the key properties of 5-(2-butoxyethyl)-4-methyl-1,3-thiazole?
5-(2-butoxyethyl)-4-methyl-1,3-thiazole has a molecular weight of 199.32 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-butoxyethyl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 23405165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).