4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole

C10H17NOS — CID 67473373

IUPAC4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole
SMILESCc1ncsc1CCOCC(C)C
InChIInChI=1S/C10H17NOS/c1-8(2)6-12-5-4-10-9(3)11-7-13-10/h7-8H,4-6H2,1-3H3
InChIKeyDINMECDWQUWHSR-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.67
Rot. Bonds5

About 4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole

4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole (PubChem CID 67473373) has the molecular formula C10H17NOS and a molecular weight of 199.32 g/mol. Its IUPAC name is 4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole
PubChem CID67473373
Molecular FormulaC10H17NOS
Molecular Weight199.32 g/mol
Exact Mass199.10
IUPAC Name4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole
SMILESCc1ncsc1CCOCC(C)C
InChIInChI=1S/C10H17NOS/c1-8(2)6-12-5-4-10-9(3)11-7-13-10/h7-8H,4-6H2,1-3H3
InChIKeyDINMECDWQUWHSR-UHFFFAOYSA-N
XLogP2.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.67
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 4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole?
The IUPAC name of 4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole (CID 67473373) is 4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole is Cc1ncsc1CCOCC(C)C.
What is the InChIKey of 4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole?
The InChIKey is DINMECDWQUWHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NOS/c1-8(2)6-12-5-4-10-9(3)11-7-13-10/h7-8H,4-6H2,1-3H3.
What are the key properties of 4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole?
4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole has a molecular weight of 199.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(2-methylpropoxy)ethyl]-1,3-thiazole is sourced from PubChem (CID 67473373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).