N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide

C24H23N5O2S — CID 127033251

IUPACN-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C24H23N5O2S/c30-22(19-6-8-20(9-7-19)29-17-25-16-27-29)26-15-24(10-12-31-13-11-24)23-28-21(14-32-23)18-4-2-1-3-5-18/h1-9,14,16-17H,10-13,15H2,(H,26,30)
InChIKeyLXMZJXLJJOTQRI-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.87
Rot. Bonds6

About N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide

N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide (PubChem CID 127033251) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
PubChem CID127033251
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC NameN-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
SMILESO=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(-n2cncn2)cc1
InChIInChI=1S/C24H23N5O2S/c30-22(19-6-8-20(9-7-19)29-17-25-16-27-29)26-15-24(10-12-31-13-11-24)23-28-21(14-32-23)18-4-2-1-3-5-18/h1-9,14,16-17H,10-13,15H2,(H,26,30)
InChIKeyLXMZJXLJJOTQRI-UHFFFAOYSA-N
XLogP3.87
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide?
The IUPAC name of N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide (CID 127033251) is N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide.
What is the SMILES notation for N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide?
The canonical SMILES for N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide is O=C(NCC1(c2nc(-c3ccccc3)cs2)CCOCC1)c1ccc(-n2cncn2)cc1.
What is the InChIKey of N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide?
The InChIKey is LXMZJXLJJOTQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c30-22(19-6-8-20(9-7-19)29-17-25-16-27-29)26-15-24(10-12-31-13-11-24)23-28-21(14-32-23)18-4-2-1-3-5-18/h1-9,14,16-17H,10-13,15H2,(H,26,30).
What are the key properties of N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide?
N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide has a molecular weight of 445.55 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-phenyl-1,3-thiazol-2-yl)oxan-4-yl]methyl]-4-(1,2,4-triazol-1-yl)benzamide is sourced from PubChem (CID 127033251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).