2,4-diethyl-5-(1H-imidazol-5-ylmethyl)-1,3-thiazole

C11H15N3S — CID 10560957

IUPAC2,4-diethyl-5-(1H-imidazol-5-ylmethyl)-1,3-thiazole
SMILESCCc1nc(CC)c(Cc2cnc[nH]2)s1
InChIInChI=1S/C11H15N3S/c1-3-9-10(15-11(4-2)14-9)5-8-6-12-7-13-8/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyIUAILLRXYSNSTK-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.58
Rot. Bonds4

About 2,4-diethyl-5-(1H-imidazol-5-ylmethyl)-1,3-thiazole

2,4-diethyl-5-(1H-imidazol-5-ylmethyl)-1,3-thiazole (PubChem CID 10560957) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 2,4-diethyl-5-(1H-imidazol-5-ylmethyl)-1,3-thiazole.

Molecular Properties

Compound Name2,4-diethyl-5-(1H-imidazol-5-ylmethyl)-1,3-thiazole
PubChem CID10560957
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name2,4-diethyl-5-(1H-imidazol-5-ylmethyl)-1,3-thiazole
SMILESCCc1nc(CC)c(Cc2cnc[nH]2)s1
InChIInChI=1S/C11H15N3S/c1-3-9-10(15-11(4-2)14-9)5-8-6-12-7-13-8/h6-7H,3-5H2,1-2H3,(H,12,13)
InChIKeyIUAILLRXYSNSTK-UHFFFAOYSA-N
XLogP2.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-5-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
The IUPAC name of 2,4-diethyl-5-(1H-imidazol-5-ylmethyl)-1,3-thiazole (CID 10560957) is 2,4-diethyl-5-(1H-imidazol-5-ylmethyl)-1,3-thiazole.
What is the SMILES notation for 2,4-diethyl-5-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
The canonical SMILES for 2,4-diethyl-5-(1H-imidazol-5-ylmethyl)-1,3-thiazole is CCc1nc(CC)c(Cc2cnc[nH]2)s1.
What is the InChIKey of 2,4-diethyl-5-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
The InChIKey is IUAILLRXYSNSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-9-10(15-11(4-2)14-9)5-8-6-12-7-13-8/h6-7H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 2,4-diethyl-5-(1H-imidazol-5-ylmethyl)-1,3-thiazole?
2,4-diethyl-5-(1H-imidazol-5-ylmethyl)-1,3-thiazole has a molecular weight of 221.33 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-5-(1H-imidazol-5-ylmethyl)-1,3-thiazole is sourced from PubChem (CID 10560957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).