1-ethyl-2-propan-2-ylsulfanylimidazole

C8H14N2S — CID 117189957

IUPAC1-ethyl-2-propan-2-ylsulfanylimidazole
SMILESCCn1ccnc1SC(C)C
InChIInChI=1S/C8H14N2S/c1-4-10-6-5-9-8(10)11-7(2)3/h5-7H,4H2,1-3H3
InChIKeyCUWZUJXNAROZNL-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.40
Rot. Bonds3

About 1-ethyl-2-propan-2-ylsulfanylimidazole

1-ethyl-2-propan-2-ylsulfanylimidazole (PubChem CID 117189957) has the molecular formula C8H14N2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 1-ethyl-2-propan-2-ylsulfanylimidazole.

Molecular Properties

Compound Name1-ethyl-2-propan-2-ylsulfanylimidazole
PubChem CID117189957
Molecular FormulaC8H14N2S
Molecular Weight170.28 g/mol
Exact Mass170.09
IUPAC Name1-ethyl-2-propan-2-ylsulfanylimidazole
SMILESCCn1ccnc1SC(C)C
InChIInChI=1S/C8H14N2S/c1-4-10-6-5-9-8(10)11-7(2)3/h5-7H,4H2,1-3H3
InChIKeyCUWZUJXNAROZNL-UHFFFAOYSA-N
XLogP2.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-2-propan-2-ylsulfanylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloroethylsulfanyl)-1-ethylimidazole
CID 62136783
1-(3,5-dimethylpiperidin-1-yl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one
CID 47138666
1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 47137409
1-(3,4-dimethoxyphenyl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one
CID 51099617
1-(1-ethylimidazol-2-yl)ethanamine
CID 63970415
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251
1-ethyl-2-[(1R)-1-iodoethyl]imidazole
CID 97177373
1-(1-ethylimidazol-2-yl)sulfanyl-2-methylpropan-2-ol
CID 54471729
methyl 2-(1-ethylimidazol-2-yl)sulfanyl-2-phenylacetate
CID 60564247
(1S)-1-(1-ethylimidazol-2-yl)-N-methylethanesulfonamide
CID 97177386
2-(1-ethylimidazol-2-yl)sulfanylpyridine
CID 130455766
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one
CID 46695728

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-propan-2-ylsulfanylimidazole?
The IUPAC name of 1-ethyl-2-propan-2-ylsulfanylimidazole (CID 117189957) is 1-ethyl-2-propan-2-ylsulfanylimidazole.
What is the SMILES notation for 1-ethyl-2-propan-2-ylsulfanylimidazole?
The canonical SMILES for 1-ethyl-2-propan-2-ylsulfanylimidazole is CCn1ccnc1SC(C)C.
What is the InChIKey of 1-ethyl-2-propan-2-ylsulfanylimidazole?
The InChIKey is CUWZUJXNAROZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2S/c1-4-10-6-5-9-8(10)11-7(2)3/h5-7H,4H2,1-3H3.
What are the key properties of 1-ethyl-2-propan-2-ylsulfanylimidazole?
1-ethyl-2-propan-2-ylsulfanylimidazole has a molecular weight of 170.28 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-propan-2-ylsulfanylimidazole is sourced from PubChem (CID 117189957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).