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

C12H17N3S — CID 10513932

IUPAC2,5-diethyl-4-[1-(1H-imidazol-5-yl)ethyl]-1,3-thiazole
SMILESCCc1nc(C(C)c2cnc[nH]2)c(CC)s1
InChIInChI=1S/C12H17N3S/c1-4-10-12(15-11(5-2)16-10)8(3)9-6-13-7-14-9/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyCCHUDGDIMFXMNF-UHFFFAOYSA-N
MW235.36 g/mol
LogP3.14
Rot. Bonds4

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

2,5-diethyl-4-[1-(1H-imidazol-5-yl)ethyl]-1,3-thiazole (PubChem CID 10513932) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 2,5-diethyl-4-[1-(1H-imidazol-5-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2,5-diethyl-4-[1-(1H-imidazol-5-yl)ethyl]-1,3-thiazole
PubChem CID10513932
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name2,5-diethyl-4-[1-(1H-imidazol-5-yl)ethyl]-1,3-thiazole
SMILESCCc1nc(C(C)c2cnc[nH]2)c(CC)s1
InChIInChI=1S/C12H17N3S/c1-4-10-12(15-11(5-2)16-10)8(3)9-6-13-7-14-9/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKeyCCHUDGDIMFXMNF-UHFFFAOYSA-N
XLogP3.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-imidazol-5-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
CID 9813232
2-(1H-imidazol-5-ylmethyl)-4,5-dimethyl-1,3-thiazole
CID 9990190
5-ethyl-4-(1H-imidazol-5-ylmethyl)-2-methyl-1,3-thiazole
CID 10013259
2,5-diethyl-4-(1H-imidazol-5-ylmethyl)-1,3-thiazole
CID 10331102
5-(1H-imidazol-5-ylmethyl)-2,4-dimethyl-1,3-thiazole
CID 10465209
4-(1H-imidazol-5-ylmethyl)-2,5-dimethyl-1,3-thiazole
CID 10559697
5-((1H-Imidazol-4-yl)methyl)-2,4-diethylthiazole
CID 10560957
2,5-diethyl-4-[1-(1H-imidazol-5-yl)-2-phenylethyl]-1,3-thiazole
CID 10567030
5-[1-(1H-imidazol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 10584459
4-ethyl-2-(1H-imidazol-5-ylmethyl)-5-methyl-1,3-thiazole
CID 10584460
4-(1H-imidazol-5-ylmethyl)-2,5-di(propan-2-yl)-1,3-thiazole
CID 10586729
4,5-diethyl-2-(1H-imidazol-5-ylmethyl)-1,3-thiazole
CID 10609025

Frequently Asked Questions

What is the IUPAC name of 2,5-diethyl-4-[1-(1H-imidazol-5-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2,5-diethyl-4-[1-(1H-imidazol-5-yl)ethyl]-1,3-thiazole (CID 10513932) is 2,5-diethyl-4-[1-(1H-imidazol-5-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2,5-diethyl-4-[1-(1H-imidazol-5-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2,5-diethyl-4-[1-(1H-imidazol-5-yl)ethyl]-1,3-thiazole is CCc1nc(C(C)c2cnc[nH]2)c(CC)s1.
What is the InChIKey of 2,5-diethyl-4-[1-(1H-imidazol-5-yl)ethyl]-1,3-thiazole?
The InChIKey is CCHUDGDIMFXMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-4-10-12(15-11(5-2)16-10)8(3)9-6-13-7-14-9/h6-8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2,5-diethyl-4-[1-(1H-imidazol-5-yl)ethyl]-1,3-thiazole?
2,5-diethyl-4-[1-(1H-imidazol-5-yl)ethyl]-1,3-thiazole has a molecular weight of 235.36 g/mol, XLogP of 3.14, 4 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)ethyl]-1,3-thiazole is sourced from PubChem (CID 10513932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).