1-[4-tert-butyl-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-5-yl]ethanone

C15H17N3OS2 — CID 4878180

IUPAC1-[4-tert-butyl-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2c(C)nc3sccn23)nc1C(C)(C)C
InChIInChI=1S/C15H17N3OS2/c1-8-10(18-6-7-20-14(18)16-8)13-17-12(15(3,4)5)11(21-13)9(2)19/h6-7H,1-5H3
InChIKeyQCACGOYHHNIVRZ-UHFFFAOYSA-N
MW319.46 g/mol
LogP4.33
Rot. Bonds2

About 1-[4-tert-butyl-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-5-yl]ethanone

1-[4-tert-butyl-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 4878180) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID4878180
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC Name1-[4-tert-butyl-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(-c2c(C)nc3sccn23)nc1C(C)(C)C
InChIInChI=1S/C15H17N3OS2/c1-8-10(18-6-7-20-14(18)16-8)13-17-12(15(3,4)5)11(21-13)9(2)19/h6-7H,1-5H3
InChIKeyQCACGOYHHNIVRZ-UHFFFAOYSA-N
XLogP4.33
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[4-tert-butyl-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-5-yl]ethanone (CID 4878180) is 1-[4-tert-butyl-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-tert-butyl-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-tert-butyl-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(-c2c(C)nc3sccn23)nc1C(C)(C)C.
What is the InChIKey of 1-[4-tert-butyl-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is QCACGOYHHNIVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-8-10(18-6-7-20-14(18)16-8)13-17-12(15(3,4)5)11(21-13)9(2)19/h6-7H,1-5H3.
What are the key properties of 1-[4-tert-butyl-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-5-yl]ethanone?
1-[4-tert-butyl-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 319.46 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 4878180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).