2,4-dibutyl-2,5-dihydro-1,3-thiazole

C11H21NS — CID 174871474

IUPAC2,4-dibutyl-2,5-dihydro-1,3-thiazole
SMILESCCCCC1=NC(CCCC)SC1
InChIInChI=1S/C11H21NS/c1-3-5-7-10-9-13-11(12-10)8-6-4-2/h11H,3-9H2,1-2H3
InChIKeyGBVRTJDLOKRPJT-UHFFFAOYSA-N
MW199.36 g/mol
LogP3.88
Rot. Bonds6

About 2,4-dibutyl-2,5-dihydro-1,3-thiazole

2,4-dibutyl-2,5-dihydro-1,3-thiazole (PubChem CID 174871474) has the molecular formula C11H21NS and a molecular weight of 199.36 g/mol. Its IUPAC name is 2,4-dibutyl-2,5-dihydro-1,3-thiazole.

Molecular Properties

Compound Name2,4-dibutyl-2,5-dihydro-1,3-thiazole
PubChem CID174871474
Molecular FormulaC11H21NS
Molecular Weight199.36 g/mol
Exact Mass199.14
IUPAC Name2,4-dibutyl-2,5-dihydro-1,3-thiazole
SMILESCCCCC1=NC(CCCC)SC1
InChIInChI=1S/C11H21NS/c1-3-5-7-10-9-13-11(12-10)8-6-4-2/h11H,3-9H2,1-2H3
InChIKeyGBVRTJDLOKRPJT-UHFFFAOYSA-N
XLogP3.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.36
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibutyl-2,5-dihydro-1,3-thiazole?
The IUPAC name of 2,4-dibutyl-2,5-dihydro-1,3-thiazole (CID 174871474) is 2,4-dibutyl-2,5-dihydro-1,3-thiazole.
What is the SMILES notation for 2,4-dibutyl-2,5-dihydro-1,3-thiazole?
The canonical SMILES for 2,4-dibutyl-2,5-dihydro-1,3-thiazole is CCCCC1=NC(CCCC)SC1.
What is the InChIKey of 2,4-dibutyl-2,5-dihydro-1,3-thiazole?
The InChIKey is GBVRTJDLOKRPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NS/c1-3-5-7-10-9-13-11(12-10)8-6-4-2/h11H,3-9H2,1-2H3.
What are the key properties of 2,4-dibutyl-2,5-dihydro-1,3-thiazole?
2,4-dibutyl-2,5-dihydro-1,3-thiazole has a molecular weight of 199.36 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibutyl-2,5-dihydro-1,3-thiazole is sourced from PubChem (CID 174871474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).