3-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxane-3-carboxamide

C20H25N3O3S — CID 155945119

IUPAC3-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxane-3-carboxamide
SMILESCC(C)c1ccc(-c2nc(CC(=O)NC3(C(N)=O)CCCOC3)cs2)cc1
InChIInChI=1S/C20H25N3O3S/c1-13(2)14-4-6-15(7-5-14)18-22-16(11-27-18)10-17(24)23-20(19(21)25)8-3-9-26-12-20/h4-7,11,13H,3,8-10,12H2,1-2H3,(H2,21,25)(H,23,24)
InChIKeyRUJAALIKTITLFH-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.63
Rot. Bonds6

About 3-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxane-3-carboxamide

3-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxane-3-carboxamide (PubChem CID 155945119) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxane-3-carboxamide.

Molecular Properties

Compound Name3-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxane-3-carboxamide
PubChem CID155945119
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxane-3-carboxamide
SMILESCC(C)c1ccc(-c2nc(CC(=O)NC3(C(N)=O)CCCOC3)cs2)cc1
InChIInChI=1S/C20H25N3O3S/c1-13(2)14-4-6-15(7-5-14)18-22-16(11-27-18)10-17(24)23-20(19(21)25)8-3-9-26-12-20/h4-7,11,13H,3,8-10,12H2,1-2H3,(H2,21,25)(H,23,24)
InChIKeyRUJAALIKTITLFH-UHFFFAOYSA-N
XLogP2.63
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxane-3-carboxamide?
The IUPAC name of 3-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxane-3-carboxamide (CID 155945119) is 3-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxane-3-carboxamide.
What is the SMILES notation for 3-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxane-3-carboxamide?
The canonical SMILES for 3-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxane-3-carboxamide is CC(C)c1ccc(-c2nc(CC(=O)NC3(C(N)=O)CCCOC3)cs2)cc1.
What is the InChIKey of 3-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxane-3-carboxamide?
The InChIKey is RUJAALIKTITLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-13(2)14-4-6-15(7-5-14)18-22-16(11-27-18)10-17(24)23-20(19(21)25)8-3-9-26-12-20/h4-7,11,13H,3,8-10,12H2,1-2H3,(H2,21,25)(H,23,24).
What are the key properties of 3-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxane-3-carboxamide?
3-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxane-3-carboxamide has a molecular weight of 387.51 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[2-(4-propan-2-ylphenyl)-1,3-thiazol-4-yl]acetyl]amino]oxane-3-carboxamide is sourced from PubChem (CID 155945119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).