4,4,6,6-tetramethyl-2-(2-piperazin-1-ylpropan-2-yl)furo[3,4-d][1,3]thiazole

C16H27N3OS — CID 79908335

IUPAC4,4,6,6-tetramethyl-2-(2-piperazin-1-ylpropan-2-yl)furo[3,4-d][1,3]thiazole
SMILESCC1(C)OC(C)(C)c2sc(C(C)(C)N3CCNCC3)nc21
InChIInChI=1S/C16H27N3OS/c1-14(2,19-9-7-17-8-10-19)13-18-11-12(21-13)16(5,6)20-15(11,3)4/h17H,7-10H2,1-6H3
InChIKeyKRPNIYKTSCKWBV-UHFFFAOYSA-N
MW309.48 g/mol
LogP2.78
Rot. Bonds2

About 4,4,6,6-tetramethyl-2-(2-piperazin-1-ylpropan-2-yl)furo[3,4-d][1,3]thiazole

4,4,6,6-tetramethyl-2-(2-piperazin-1-ylpropan-2-yl)furo[3,4-d][1,3]thiazole (PubChem CID 79908335) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 4,4,6,6-tetramethyl-2-(2-piperazin-1-ylpropan-2-yl)furo[3,4-d][1,3]thiazole.

Molecular Properties

Compound Name4,4,6,6-tetramethyl-2-(2-piperazin-1-ylpropan-2-yl)furo[3,4-d][1,3]thiazole
PubChem CID79908335
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name4,4,6,6-tetramethyl-2-(2-piperazin-1-ylpropan-2-yl)furo[3,4-d][1,3]thiazole
SMILESCC1(C)OC(C)(C)c2sc(C(C)(C)N3CCNCC3)nc21
InChIInChI=1S/C16H27N3OS/c1-14(2,19-9-7-17-8-10-19)13-18-11-12(21-13)16(5,6)20-15(11,3)4/h17H,7-10H2,1-6H3
InChIKeyKRPNIYKTSCKWBV-UHFFFAOYSA-N
XLogP2.78
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetramethyl-2-(2-piperazin-1-ylpropan-2-yl)furo[3,4-d][1,3]thiazole?
The IUPAC name of 4,4,6,6-tetramethyl-2-(2-piperazin-1-ylpropan-2-yl)furo[3,4-d][1,3]thiazole (CID 79908335) is 4,4,6,6-tetramethyl-2-(2-piperazin-1-ylpropan-2-yl)furo[3,4-d][1,3]thiazole.
What is the SMILES notation for 4,4,6,6-tetramethyl-2-(2-piperazin-1-ylpropan-2-yl)furo[3,4-d][1,3]thiazole?
The canonical SMILES for 4,4,6,6-tetramethyl-2-(2-piperazin-1-ylpropan-2-yl)furo[3,4-d][1,3]thiazole is CC1(C)OC(C)(C)c2sc(C(C)(C)N3CCNCC3)nc21.
What is the InChIKey of 4,4,6,6-tetramethyl-2-(2-piperazin-1-ylpropan-2-yl)furo[3,4-d][1,3]thiazole?
The InChIKey is KRPNIYKTSCKWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-14(2,19-9-7-17-8-10-19)13-18-11-12(21-13)16(5,6)20-15(11,3)4/h17H,7-10H2,1-6H3.
What are the key properties of 4,4,6,6-tetramethyl-2-(2-piperazin-1-ylpropan-2-yl)furo[3,4-d][1,3]thiazole?
4,4,6,6-tetramethyl-2-(2-piperazin-1-ylpropan-2-yl)furo[3,4-d][1,3]thiazole has a molecular weight of 309.48 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetramethyl-2-(2-piperazin-1-ylpropan-2-yl)furo[3,4-d][1,3]thiazole is sourced from PubChem (CID 79908335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).