4-ethyl-2-[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propyl]-5-methyl-1,3-thiazole

C15H22N2S2 — CID 110192228

IUPAC4-ethyl-2-[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propyl]-5-methyl-1,3-thiazole
SMILESCCc1nc(CCCc2nc(CC)c(C)s2)sc1C
InChIInChI=1S/C15H22N2S2/c1-5-12-10(3)18-14(16-12)8-7-9-15-17-13(6-2)11(4)19-15/h5-9H2,1-4H3
InChIKeyDOHMAQYYUASWJC-UHFFFAOYSA-N
MW294.49 g/mol
LogP4.52
Rot. Bonds6

About 4-ethyl-2-[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propyl]-5-methyl-1,3-thiazole

4-ethyl-2-[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propyl]-5-methyl-1,3-thiazole (PubChem CID 110192228) has the molecular formula C15H22N2S2 and a molecular weight of 294.49 g/mol. Its IUPAC name is 4-ethyl-2-[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propyl]-5-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-ethyl-2-[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propyl]-5-methyl-1,3-thiazole
PubChem CID110192228
Molecular FormulaC15H22N2S2
Molecular Weight294.49 g/mol
Exact Mass294.12
IUPAC Name4-ethyl-2-[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propyl]-5-methyl-1,3-thiazole
SMILESCCc1nc(CCCc2nc(CC)c(C)s2)sc1C
InChIInChI=1S/C15H22N2S2/c1-5-12-10(3)18-14(16-12)8-7-9-15-17-13(6-2)11(4)19-15/h5-9H2,1-4H3
InChIKeyDOHMAQYYUASWJC-UHFFFAOYSA-N
XLogP4.52
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;4-ethyl-5-methyl-2-(2-methylpropyl)-1,3-thiazole
CID 143926152
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]butan-2-amine
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N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2,3,5,6-tetrafluoropyridin-4-amine
CID 133338865
4-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]aniline;hydrochloride
CID 120558544
1-tert-butyl-3-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110965607
4-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethoxy]benzoic acid
CID 83967534
4,5-diethyl-2-propyl-1,3-thiazole
CID 150030476
1-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109474885
1-tert-butyl-3-ethyl-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 110965609
4-ethyl-5-methyl-2-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 62542496
1-(3,5-dimethylphenyl)-2-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]guanidine;hydroiodide
CID 111090472
N-ethyl-N'-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 110955839

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propyl]-5-methyl-1,3-thiazole?
The IUPAC name of 4-ethyl-2-[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propyl]-5-methyl-1,3-thiazole (CID 110192228) is 4-ethyl-2-[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propyl]-5-methyl-1,3-thiazole.
What is the SMILES notation for 4-ethyl-2-[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propyl]-5-methyl-1,3-thiazole?
The canonical SMILES for 4-ethyl-2-[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propyl]-5-methyl-1,3-thiazole is CCc1nc(CCCc2nc(CC)c(C)s2)sc1C.
What is the InChIKey of 4-ethyl-2-[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propyl]-5-methyl-1,3-thiazole?
The InChIKey is DOHMAQYYUASWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S2/c1-5-12-10(3)18-14(16-12)8-7-9-15-17-13(6-2)11(4)19-15/h5-9H2,1-4H3.
What are the key properties of 4-ethyl-2-[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propyl]-5-methyl-1,3-thiazole?
4-ethyl-2-[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propyl]-5-methyl-1,3-thiazole has a molecular weight of 294.49 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[3-(4-ethyl-5-methyl-1,3-thiazol-2-yl)propyl]-5-methyl-1,3-thiazole is sourced from PubChem (CID 110192228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).