5-[1-[5-[1-(5-tert-butylthiophen-3-yl)-2-methylpropan-2-yl]-1-methylimidazol-2-yl]-2-methylpropan-2-yl]-1,3-thiazole

C23H33N3S2 — CID 166704258

IUPAC5-[1-[5-[1-(5-tert-butylthiophen-3-yl)-2-methylpropan-2-yl]-1-methylimidazol-2-yl]-2-methylpropan-2-yl]-1,3-thiazole
SMILESCn1c(C(C)(C)Cc2csc(C(C)(C)C)c2)cnc1CC(C)(C)c1cncs1
InChIInChI=1S/C23H33N3S2/c1-21(2,3)18-9-16(14-27-18)10-22(4,5)17-12-25-20(26(17)8)11-23(6,7)19-13-24-15-28-19/h9,12-15H,10-11H2,1-8H3
InChIKeyRFUXVDICODEAEZ-UHFFFAOYSA-N
MW415.67 g/mol
LogP6.28
Rot. Bonds6

About 5-[1-[5-[1-(5-tert-butylthiophen-3-yl)-2-methylpropan-2-yl]-1-methylimidazol-2-yl]-2-methylpropan-2-yl]-1,3-thiazole

5-[1-[5-[1-(5-tert-butylthiophen-3-yl)-2-methylpropan-2-yl]-1-methylimidazol-2-yl]-2-methylpropan-2-yl]-1,3-thiazole (PubChem CID 166704258) has the molecular formula C23H33N3S2 and a molecular weight of 415.67 g/mol. Its IUPAC name is 5-[1-[5-[1-(5-tert-butylthiophen-3-yl)-2-methylpropan-2-yl]-1-methylimidazol-2-yl]-2-methylpropan-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-[1-[5-[1-(5-tert-butylthiophen-3-yl)-2-methylpropan-2-yl]-1-methylimidazol-2-yl]-2-methylpropan-2-yl]-1,3-thiazole
PubChem CID166704258
Molecular FormulaC23H33N3S2
Molecular Weight415.67 g/mol
Exact Mass415.21
IUPAC Name5-[1-[5-[1-(5-tert-butylthiophen-3-yl)-2-methylpropan-2-yl]-1-methylimidazol-2-yl]-2-methylpropan-2-yl]-1,3-thiazole
SMILESCn1c(C(C)(C)Cc2csc(C(C)(C)C)c2)cnc1CC(C)(C)c1cncs1
InChIInChI=1S/C23H33N3S2/c1-21(2,3)18-9-16(14-27-18)10-22(4,5)17-12-25-20(26(17)8)11-23(6,7)19-13-24-15-28-19/h9,12-15H,10-11H2,1-8H3
InChIKeyRFUXVDICODEAEZ-UHFFFAOYSA-N
XLogP6.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.67
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[5-[1-(5-tert-butylthiophen-3-yl)-2-methylpropan-2-yl]-1-methylimidazol-2-yl]-2-methylpropan-2-yl]-1,3-thiazole?
The IUPAC name of 5-[1-[5-[1-(5-tert-butylthiophen-3-yl)-2-methylpropan-2-yl]-1-methylimidazol-2-yl]-2-methylpropan-2-yl]-1,3-thiazole (CID 166704258) is 5-[1-[5-[1-(5-tert-butylthiophen-3-yl)-2-methylpropan-2-yl]-1-methylimidazol-2-yl]-2-methylpropan-2-yl]-1,3-thiazole.
What is the SMILES notation for 5-[1-[5-[1-(5-tert-butylthiophen-3-yl)-2-methylpropan-2-yl]-1-methylimidazol-2-yl]-2-methylpropan-2-yl]-1,3-thiazole?
The canonical SMILES for 5-[1-[5-[1-(5-tert-butylthiophen-3-yl)-2-methylpropan-2-yl]-1-methylimidazol-2-yl]-2-methylpropan-2-yl]-1,3-thiazole is Cn1c(C(C)(C)Cc2csc(C(C)(C)C)c2)cnc1CC(C)(C)c1cncs1.
What is the InChIKey of 5-[1-[5-[1-(5-tert-butylthiophen-3-yl)-2-methylpropan-2-yl]-1-methylimidazol-2-yl]-2-methylpropan-2-yl]-1,3-thiazole?
The InChIKey is RFUXVDICODEAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3S2/c1-21(2,3)18-9-16(14-27-18)10-22(4,5)17-12-25-20(26(17)8)11-23(6,7)19-13-24-15-28-19/h9,12-15H,10-11H2,1-8H3.
What are the key properties of 5-[1-[5-[1-(5-tert-butylthiophen-3-yl)-2-methylpropan-2-yl]-1-methylimidazol-2-yl]-2-methylpropan-2-yl]-1,3-thiazole?
5-[1-[5-[1-(5-tert-butylthiophen-3-yl)-2-methylpropan-2-yl]-1-methylimidazol-2-yl]-2-methylpropan-2-yl]-1,3-thiazole has a molecular weight of 415.67 g/mol, XLogP of 6.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[5-[1-(5-tert-butylthiophen-3-yl)-2-methylpropan-2-yl]-1-methylimidazol-2-yl]-2-methylpropan-2-yl]-1,3-thiazole is sourced from PubChem (CID 166704258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).