4-[1-(1,3-benzothiazol-2-ylmethyl)imidazol-2-yl]-2-propan-2-yl-1,3-oxazole

C17H16N4OS — CID 56878894

IUPAC4-[1-(1,3-benzothiazol-2-ylmethyl)imidazol-2-yl]-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(-c2nccn2Cc2nc3ccccc3s2)co1
InChIInChI=1S/C17H16N4OS/c1-11(2)17-20-13(10-22-17)16-18-7-8-21(16)9-15-19-12-5-3-4-6-14(12)23-15/h3-8,10-11H,9H2,1-2H3
InChIKeySTKAMXNXHRGFAU-UHFFFAOYSA-N
MW324.41 g/mol
LogP4.32
Rot. Bonds4

About 4-[1-(1,3-benzothiazol-2-ylmethyl)imidazol-2-yl]-2-propan-2-yl-1,3-oxazole

4-[1-(1,3-benzothiazol-2-ylmethyl)imidazol-2-yl]-2-propan-2-yl-1,3-oxazole (PubChem CID 56878894) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 4-[1-(1,3-benzothiazol-2-ylmethyl)imidazol-2-yl]-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[1-(1,3-benzothiazol-2-ylmethyl)imidazol-2-yl]-2-propan-2-yl-1,3-oxazole
PubChem CID56878894
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name4-[1-(1,3-benzothiazol-2-ylmethyl)imidazol-2-yl]-2-propan-2-yl-1,3-oxazole
SMILESCC(C)c1nc(-c2nccn2Cc2nc3ccccc3s2)co1
InChIInChI=1S/C17H16N4OS/c1-11(2)17-20-13(10-22-17)16-18-7-8-21(16)9-15-19-12-5-3-4-6-14(12)23-15/h3-8,10-11H,9H2,1-2H3
InChIKeySTKAMXNXHRGFAU-UHFFFAOYSA-N
XLogP4.32
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(1,3-Benzothiazol-2-YL)-1-[(2-methyl-1,3-oxazol-4-YL)methyl]-1,8-diazaspiro[4.5]decane
CID 70744935
2-(1H-benzimidazol-1-ylmethyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56720292
2-Propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-oxazole;bis(5-propan-2-yl-1,2,4-thiadiazole);2-propan-2-yl-1,3-thiazole
CID 161227750
2-(1H-benzimidazol-1-ylmethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 26399622
2-(1H-benzimidazol-1-ylmethyl)-N-[(2-methylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-1,3-oxazole-4-carboxamide
CID 42096690
2-(1H-benzimidazol-1-ylmethyl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 42217276
2-(1H-benzimidazol-1-ylmethyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1,3-oxazole-4-carboxamide
CID 45594551
6-[2-(2-methyl-1,3-oxazol-4-yl)-1H-imidazol-1-yl]-2,3-dihydroimidazo[2,1-b][1,3]benzothiazole
CID 56717711
2-isopropyl-4-{1-[1-(2-thienyl)ethyl]-1H-imidazol-2-yl}-1,3-oxazole
CID 56871941
2-{4-[(2-Methyl-1,3-oxazol-4-yl)methyl]-1-piperazinyl}-1,3-benzothiazole
CID 70714787
Benzo[d]thiazol-2-yl(3-((6-(dimethylamino)pyrazin-2-yl)oxy)pyrrolidin-1-yl)methanone
CID 90637895
2-propan-2-yl-4-[1-[(1S)-1-thiophen-2-ylethyl]imidazol-2-yl]-1,3-oxazole
CID 95551896

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,3-benzothiazol-2-ylmethyl)imidazol-2-yl]-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-[1-(1,3-benzothiazol-2-ylmethyl)imidazol-2-yl]-2-propan-2-yl-1,3-oxazole (CID 56878894) is 4-[1-(1,3-benzothiazol-2-ylmethyl)imidazol-2-yl]-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[1-(1,3-benzothiazol-2-ylmethyl)imidazol-2-yl]-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-[1-(1,3-benzothiazol-2-ylmethyl)imidazol-2-yl]-2-propan-2-yl-1,3-oxazole is CC(C)c1nc(-c2nccn2Cc2nc3ccccc3s2)co1.
What is the InChIKey of 4-[1-(1,3-benzothiazol-2-ylmethyl)imidazol-2-yl]-2-propan-2-yl-1,3-oxazole?
The InChIKey is STKAMXNXHRGFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-11(2)17-20-13(10-22-17)16-18-7-8-21(16)9-15-19-12-5-3-4-6-14(12)23-15/h3-8,10-11H,9H2,1-2H3.
What are the key properties of 4-[1-(1,3-benzothiazol-2-ylmethyl)imidazol-2-yl]-2-propan-2-yl-1,3-oxazole?
4-[1-(1,3-benzothiazol-2-ylmethyl)imidazol-2-yl]-2-propan-2-yl-1,3-oxazole has a molecular weight of 324.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,3-benzothiazol-2-ylmethyl)imidazol-2-yl]-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 56878894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).