5-ethyl-2-methyl-4H-imidazo[4,5-d][1,3]thiazole

C7H9N3S — CID 123209662

IUPAC5-ethyl-2-methyl-4H-imidazo[4,5-d][1,3]thiazole
SMILESCCc1nc2sc(C)nc2[nH]1
InChIInChI=1S/C7H9N3S/c1-3-5-9-6-7(10-5)11-4(2)8-6/h3H2,1-2H3,(H,9,10)
InChIKeyULIGXHDHQGELAT-UHFFFAOYSA-N
MW167.24 g/mol
LogP1.89
Rot. Bonds1

About 5-ethyl-2-methyl-4H-imidazo[4,5-d][1,3]thiazole

5-ethyl-2-methyl-4H-imidazo[4,5-d][1,3]thiazole (PubChem CID 123209662) has the molecular formula C7H9N3S and a molecular weight of 167.24 g/mol. Its IUPAC name is 5-ethyl-2-methyl-4H-imidazo[4,5-d][1,3]thiazole.

Molecular Properties

Compound Name5-ethyl-2-methyl-4H-imidazo[4,5-d][1,3]thiazole
PubChem CID123209662
Molecular FormulaC7H9N3S
Molecular Weight167.24 g/mol
Exact Mass167.05
IUPAC Name5-ethyl-2-methyl-4H-imidazo[4,5-d][1,3]thiazole
SMILESCCc1nc2sc(C)nc2[nH]1
InChIInChI=1S/C7H9N3S/c1-3-5-9-6-7(10-5)11-4(2)8-6/h3H2,1-2H3,(H,9,10)
InChIKeyULIGXHDHQGELAT-UHFFFAOYSA-N
XLogP1.89
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methyl-4H-imidazo[4,5-d][1,3]thiazole?
The IUPAC name of 5-ethyl-2-methyl-4H-imidazo[4,5-d][1,3]thiazole (CID 123209662) is 5-ethyl-2-methyl-4H-imidazo[4,5-d][1,3]thiazole.
What is the SMILES notation for 5-ethyl-2-methyl-4H-imidazo[4,5-d][1,3]thiazole?
The canonical SMILES for 5-ethyl-2-methyl-4H-imidazo[4,5-d][1,3]thiazole is CCc1nc2sc(C)nc2[nH]1.
What is the InChIKey of 5-ethyl-2-methyl-4H-imidazo[4,5-d][1,3]thiazole?
The InChIKey is ULIGXHDHQGELAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3S/c1-3-5-9-6-7(10-5)11-4(2)8-6/h3H2,1-2H3,(H,9,10).
What are the key properties of 5-ethyl-2-methyl-4H-imidazo[4,5-d][1,3]thiazole?
5-ethyl-2-methyl-4H-imidazo[4,5-d][1,3]thiazole has a molecular weight of 167.24 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methyl-4H-imidazo[4,5-d][1,3]thiazole is sourced from PubChem (CID 123209662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).