2-tert-butyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide

C20H25FN2O2S — CID 47727483

IUPAC2-tert-butyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)s1
InChIInChI=1S/C20H25FN2O2S/c1-19(2,3)18-22-12-16(26-18)17(24)23-13-20(8-10-25-11-9-20)14-4-6-15(21)7-5-14/h4-7,12H,8-11,13H2,1-3H3,(H,23,24)
InChIKeyDUOCMVISQKJTDJ-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.06
Rot. Bonds4

About 2-tert-butyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 47727483) has the molecular formula C20H25FN2O2S and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-tert-butyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID47727483
Molecular FormulaC20H25FN2O2S
Molecular Weight376.50 g/mol
Exact Mass376.16
IUPAC Name2-tert-butyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)s1
InChIInChI=1S/C20H25FN2O2S/c1-19(2,3)18-22-12-16(26-18)17(24)23-13-20(8-10-25-11-9-20)14-4-6-15(21)7-5-14/h4-7,12H,8-11,13H2,1-3H3,(H,23,24)
InChIKeyDUOCMVISQKJTDJ-UHFFFAOYSA-N
XLogP4.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide (CID 47727483) is 2-tert-butyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)s1.
What is the InChIKey of 2-tert-butyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is DUOCMVISQKJTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2S/c1-19(2,3)18-22-12-16(26-18)17(24)23-13-20(8-10-25-11-9-20)14-4-6-15(21)7-5-14/h4-7,12H,8-11,13H2,1-3H3,(H,23,24).
What are the key properties of 2-tert-butyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47727483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).