2-[1-(5-tert-butyl-4-methylthiophen-2-yl)-2-methylpropan-2-yl]-5-[2-(furan-2-yl)-2-methylpropyl]-1,3-thiazole

C24H33NOS2 — CID 130219473

IUPAC2-[1-(5-tert-butyl-4-methylthiophen-2-yl)-2-methylpropan-2-yl]-5-[2-(furan-2-yl)-2-methylpropyl]-1,3-thiazole
SMILESCc1cc(CC(C)(C)c2ncc(CC(C)(C)c3ccco3)s2)sc1C(C)(C)C
InChIInChI=1S/C24H33NOS2/c1-16-12-17(27-20(16)22(2,3)4)13-24(7,8)21-25-15-18(28-21)14-23(5,6)19-10-9-11-26-19/h9-12,15H,13-14H2,1-8H3
InChIKeyTVDUHJDIEUODSJ-UHFFFAOYSA-N
MW415.67 g/mol
LogP7.44
Rot. Bonds6

About 2-[1-(5-tert-butyl-4-methylthiophen-2-yl)-2-methylpropan-2-yl]-5-[2-(furan-2-yl)-2-methylpropyl]-1,3-thiazole

2-[1-(5-tert-butyl-4-methylthiophen-2-yl)-2-methylpropan-2-yl]-5-[2-(furan-2-yl)-2-methylpropyl]-1,3-thiazole (PubChem CID 130219473) has the molecular formula C24H33NOS2 and a molecular weight of 415.67 g/mol. Its IUPAC name is 2-[1-(5-tert-butyl-4-methylthiophen-2-yl)-2-methylpropan-2-yl]-5-[2-(furan-2-yl)-2-methylpropyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(5-tert-butyl-4-methylthiophen-2-yl)-2-methylpropan-2-yl]-5-[2-(furan-2-yl)-2-methylpropyl]-1,3-thiazole
PubChem CID130219473
Molecular FormulaC24H33NOS2
Molecular Weight415.67 g/mol
Exact Mass415.20
IUPAC Name2-[1-(5-tert-butyl-4-methylthiophen-2-yl)-2-methylpropan-2-yl]-5-[2-(furan-2-yl)-2-methylpropyl]-1,3-thiazole
SMILESCc1cc(CC(C)(C)c2ncc(CC(C)(C)c3ccco3)s2)sc1C(C)(C)C
InChIInChI=1S/C24H33NOS2/c1-16-12-17(27-20(16)22(2,3)4)13-24(7,8)21-25-15-18(28-21)14-23(5,6)19-10-9-11-26-19/h9-12,15H,13-14H2,1-8H3
InChIKeyTVDUHJDIEUODSJ-UHFFFAOYSA-N
XLogP7.44
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.67
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-tert-butyl-4-methylthiophen-2-yl)-2-methylpropan-2-yl]-5-[2-(furan-2-yl)-2-methylpropyl]-1,3-thiazole?
The IUPAC name of 2-[1-(5-tert-butyl-4-methylthiophen-2-yl)-2-methylpropan-2-yl]-5-[2-(furan-2-yl)-2-methylpropyl]-1,3-thiazole (CID 130219473) is 2-[1-(5-tert-butyl-4-methylthiophen-2-yl)-2-methylpropan-2-yl]-5-[2-(furan-2-yl)-2-methylpropyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(5-tert-butyl-4-methylthiophen-2-yl)-2-methylpropan-2-yl]-5-[2-(furan-2-yl)-2-methylpropyl]-1,3-thiazole?
The canonical SMILES for 2-[1-(5-tert-butyl-4-methylthiophen-2-yl)-2-methylpropan-2-yl]-5-[2-(furan-2-yl)-2-methylpropyl]-1,3-thiazole is Cc1cc(CC(C)(C)c2ncc(CC(C)(C)c3ccco3)s2)sc1C(C)(C)C.
What is the InChIKey of 2-[1-(5-tert-butyl-4-methylthiophen-2-yl)-2-methylpropan-2-yl]-5-[2-(furan-2-yl)-2-methylpropyl]-1,3-thiazole?
The InChIKey is TVDUHJDIEUODSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NOS2/c1-16-12-17(27-20(16)22(2,3)4)13-24(7,8)21-25-15-18(28-21)14-23(5,6)19-10-9-11-26-19/h9-12,15H,13-14H2,1-8H3.
What are the key properties of 2-[1-(5-tert-butyl-4-methylthiophen-2-yl)-2-methylpropan-2-yl]-5-[2-(furan-2-yl)-2-methylpropyl]-1,3-thiazole?
2-[1-(5-tert-butyl-4-methylthiophen-2-yl)-2-methylpropan-2-yl]-5-[2-(furan-2-yl)-2-methylpropyl]-1,3-thiazole has a molecular weight of 415.67 g/mol, XLogP of 7.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-tert-butyl-4-methylthiophen-2-yl)-2-methylpropan-2-yl]-5-[2-(furan-2-yl)-2-methylpropyl]-1,3-thiazole is sourced from PubChem (CID 130219473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).