2,5-diethyl-4-[1-(1H-imidazol-5-yl)-2-phenylethyl]-1,3-thiazole

C18H21N3S — CID 10567030

IUPAC2,5-diethyl-4-[1-(1H-imidazol-5-yl)-2-phenylethyl]-1,3-thiazole
SMILESCCc1nc(C(Cc2ccccc2)c2cnc[nH]2)c(CC)s1
InChIInChI=1S/C18H21N3S/c1-3-16-18(21-17(4-2)22-16)14(15-11-19-12-20-15)10-13-8-6-5-7-9-13/h5-9,11-12,14H,3-4,10H2,1-2H3,(H,19,20)
InChIKeyGIRXEKQSGIJCRD-UHFFFAOYSA-N
MW311.45 g/mol
LogP4.37
Rot. Bonds6

About 2,5-diethyl-4-[1-(1H-imidazol-5-yl)-2-phenylethyl]-1,3-thiazole

2,5-diethyl-4-[1-(1H-imidazol-5-yl)-2-phenylethyl]-1,3-thiazole (PubChem CID 10567030) has the molecular formula C18H21N3S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2,5-diethyl-4-[1-(1H-imidazol-5-yl)-2-phenylethyl]-1,3-thiazole.

Molecular Properties

Compound Name2,5-diethyl-4-[1-(1H-imidazol-5-yl)-2-phenylethyl]-1,3-thiazole
PubChem CID10567030
Molecular FormulaC18H21N3S
Molecular Weight311.45 g/mol
Exact Mass311.15
IUPAC Name2,5-diethyl-4-[1-(1H-imidazol-5-yl)-2-phenylethyl]-1,3-thiazole
SMILESCCc1nc(C(Cc2ccccc2)c2cnc[nH]2)c(CC)s1
InChIInChI=1S/C18H21N3S/c1-3-16-18(21-17(4-2)22-16)14(15-11-19-12-20-15)10-13-8-6-5-7-9-13/h5-9,11-12,14H,3-4,10H2,1-2H3,(H,19,20)
InChIKeyGIRXEKQSGIJCRD-UHFFFAOYSA-N
XLogP4.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-4-[1-(1H-imidazol-5-yl)-2-phenylethyl]-1,3-thiazole?
The IUPAC name of 2,5-diethyl-4-[1-(1H-imidazol-5-yl)-2-phenylethyl]-1,3-thiazole (CID 10567030) is 2,5-diethyl-4-[1-(1H-imidazol-5-yl)-2-phenylethyl]-1,3-thiazole.
What is the SMILES notation for 2,5-diethyl-4-[1-(1H-imidazol-5-yl)-2-phenylethyl]-1,3-thiazole?
The canonical SMILES for 2,5-diethyl-4-[1-(1H-imidazol-5-yl)-2-phenylethyl]-1,3-thiazole is CCc1nc(C(Cc2ccccc2)c2cnc[nH]2)c(CC)s1.
What is the InChIKey of 2,5-diethyl-4-[1-(1H-imidazol-5-yl)-2-phenylethyl]-1,3-thiazole?
The InChIKey is GIRXEKQSGIJCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3S/c1-3-16-18(21-17(4-2)22-16)14(15-11-19-12-20-15)10-13-8-6-5-7-9-13/h5-9,11-12,14H,3-4,10H2,1-2H3,(H,19,20).
What are the key properties of 2,5-diethyl-4-[1-(1H-imidazol-5-yl)-2-phenylethyl]-1,3-thiazole?
2,5-diethyl-4-[1-(1H-imidazol-5-yl)-2-phenylethyl]-1,3-thiazole has a molecular weight of 311.45 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-4-[1-(1H-imidazol-5-yl)-2-phenylethyl]-1,3-thiazole is sourced from PubChem (CID 10567030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).