5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

C19H29N3S2 — CID 161142828

IUPAC5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
SMILESCC(C)c1cccs1.CC(C)c1cnc[nH]1.CC(C)c1nccs1
InChIInChI=1S/C7H10S.C6H10N2.C6H9NS/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3
InChIKeyUNRAVAKXGZTFBG-UHFFFAOYSA-N
MW363.60 g/mol
LogP6.67
Rot. Bonds3

About 5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene

5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (PubChem CID 161142828) has the molecular formula C19H29N3S2 and a molecular weight of 363.60 g/mol. Its IUPAC name is 5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.

Molecular Properties

Compound Name5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
PubChem CID161142828
Molecular FormulaC19H29N3S2
Molecular Weight363.60 g/mol
Exact Mass363.18
IUPAC Name5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene
SMILESCC(C)c1cccs1.CC(C)c1cnc[nH]1.CC(C)c1nccs1
InChIInChI=1S/C7H10S.C6H10N2.C6H9NS/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3
InChIKeyUNRAVAKXGZTFBG-UHFFFAOYSA-N
XLogP6.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.60
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 104584966
N-[1,3-thiazol-2-yl(thiophen-2-yl)methyl]propan-1-amine
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4-fluoro-5-propan-2-yl-1H-pyrazole;methane;2-propan-2-yl-1,3-thiazole
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CID 158608596
ethane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,2-thiazole
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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The IUPAC name of 5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene (CID 161142828) is 5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene.
What is the SMILES notation for 5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The canonical SMILES for 5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is CC(C)c1cccs1.CC(C)c1cnc[nH]1.CC(C)c1nccs1.
What is the InChIKey of 5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
The InChIKey is UNRAVAKXGZTFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S.C6H10N2.C6H9NS/c1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6/h3-6H,1-2H3;3-5H,1-2H3,(H,7,8);3-5H,1-2H3.
What are the key properties of 5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene?
5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene has a molecular weight of 363.60 g/mol, XLogP of 6.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene is sourced from PubChem (CID 161142828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).