2-(2-ethylimidazol-1-yl)-4-methyl-1,3-thiazole

C9H11N3S — CID 63811039

IUPAC2-(2-ethylimidazol-1-yl)-4-methyl-1,3-thiazole
SMILESCCc1nccn1-c1nc(C)cs1
InChIInChI=1S/C9H11N3S/c1-3-8-10-4-5-12(8)9-11-7(2)6-13-9/h4-6H,3H2,1-2H3
InChIKeyLBSSERWKYNYVDM-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.20
Rot. Bonds2

About 2-(2-ethylimidazol-1-yl)-4-methyl-1,3-thiazole

2-(2-ethylimidazol-1-yl)-4-methyl-1,3-thiazole (PubChem CID 63811039) has the molecular formula C9H11N3S and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-4-methyl-1,3-thiazole
PubChem CID63811039
Molecular FormulaC9H11N3S
Molecular Weight193.27 g/mol
Exact Mass193.07
IUPAC Name2-(2-ethylimidazol-1-yl)-4-methyl-1,3-thiazole
SMILESCCc1nccn1-c1nc(C)cs1
InChIInChI=1S/C9H11N3S/c1-3-8-10-4-5-12(8)9-11-7(2)6-13-9/h4-6H,3H2,1-2H3
InChIKeyLBSSERWKYNYVDM-UHFFFAOYSA-N
XLogP2.20
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-ethylimidazol-1-yl)-2,6-dimethylpyrimidine
CID 55238460
3-cyclopropyl-5-(2-ethylimidazol-1-yl)-1,2,4-thiadiazole
CID 65277600
2-(2-ethylimidazol-1-yl)-3-methylpyrazine
CID 83066556
2-(2-ethylimidazol-1-yl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 114450432
4-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-1,3-thiazole
CID 31981427
3-(4-methyl-1,3-thiazol-2-yl)-1H-imidazol-2-one
CID 103125046
[2-(2-ethylimidazol-1-yl)-4-methylpyrimidin-5-yl]methanamine
CID 83189867
N-methyl-1-[2-(2-methylimidazol-1-yl)-1,3-thiazol-4-yl]methanamine
CID 130632485
N-ethyl-6-(2-ethylimidazol-1-yl)-2-methylpyrimidin-4-amine
CID 80857445
4-chloro-6-(2-ethylimidazol-1-yl)-5-methylpyrimidine
CID 63730231
3-bromo-4-(2-ethylimidazol-1-yl)pyridine
CID 104778672
2-ethyl-4-methyl-1,3-thiazole
CID 27440

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-4-methyl-1,3-thiazole?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-4-methyl-1,3-thiazole (CID 63811039) is 2-(2-ethylimidazol-1-yl)-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-4-methyl-1,3-thiazole?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-4-methyl-1,3-thiazole is CCc1nccn1-c1nc(C)cs1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-4-methyl-1,3-thiazole?
The InChIKey is LBSSERWKYNYVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S/c1-3-8-10-4-5-12(8)9-11-7(2)6-13-9/h4-6H,3H2,1-2H3.
What are the key properties of 2-(2-ethylimidazol-1-yl)-4-methyl-1,3-thiazole?
2-(2-ethylimidazol-1-yl)-4-methyl-1,3-thiazole has a molecular weight of 193.27 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-4-methyl-1,3-thiazole is sourced from PubChem (CID 63811039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).