2-[1-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole

C12H14N6S — CID 56748638

IUPAC2-[1-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole
SMILESCCn1ncnc1-c1nccn1C(C)c1nccs1
InChIInChI=1S/C12H14N6S/c1-3-18-11(15-8-16-18)10-13-4-6-17(10)9(2)12-14-5-7-19-12/h4-9H,3H2,1-2H3
InChIKeyPRWNDIPDOYPUSK-UHFFFAOYSA-N
MW274.35 g/mol
LogP2.23
Rot. Bonds4

About 2-[1-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole

2-[1-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole (PubChem CID 56748638) has the molecular formula C12H14N6S and a molecular weight of 274.35 g/mol. Its IUPAC name is 2-[1-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole
PubChem CID56748638
Molecular FormulaC12H14N6S
Molecular Weight274.35 g/mol
Exact Mass274.10
IUPAC Name2-[1-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole
SMILESCCn1ncnc1-c1nccn1C(C)c1nccs1
InChIInChI=1S/C12H14N6S/c1-3-18-11(15-8-16-18)10-13-4-6-17(10)9(2)12-14-5-7-19-12/h4-9H,3H2,1-2H3
InChIKeyPRWNDIPDOYPUSK-UHFFFAOYSA-N
XLogP2.23
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[2-(4-methoxynaphthalen-1-yl)imidazol-1-yl]ethyl]-1,3-thiazole
CID 56757933
N-ethyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106574743
N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]ethanamine
CID 66151422
2-(1-bromopropan-2-yl)-1,3-thiazole
CID 66470662
2-methyl-N-[[3-[1-(1,3-thiazol-2-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 66151221
N-[1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(1,3-thiazol-2-yl)propan-1-amine
CID 104584971
N-cyclohexyl-4-methyl-1-[1-(1,3-thiazol-2-yl)ethyl]imidazol-2-amine
CID 106574761
2-[1-(1-pyridin-3-ylethyl)imidazol-2-yl]-1,3-thiazole
CID 155913617
1-(1,3-thiazol-2-yl)ethyl 2-ethyl-5-methylpyrazole-3-carboxylate
CID 71982454
[(1R)-1-(1,3-thiazol-2-yl)ethyl] 2-ethyl-5-methylpyrazole-3-carboxylate
CID 96565017
2-(1-iodoethyl)-1,3-thiazole
CID 89231680
N-phenyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine
CID 106574962

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole (CID 56748638) is 2-[1-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole is CCn1ncnc1-c1nccn1C(C)c1nccs1.
What is the InChIKey of 2-[1-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
The InChIKey is PRWNDIPDOYPUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6S/c1-3-18-11(15-8-16-18)10-13-4-6-17(10)9(2)12-14-5-7-19-12/h4-9H,3H2,1-2H3.
What are the key properties of 2-[1-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole?
2-[1-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole has a molecular weight of 274.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-ethyl-1,2,4-triazol-3-yl)imidazol-1-yl]ethyl]-1,3-thiazole is sourced from PubChem (CID 56748638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).