N-[4-[(E)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]-1,3-thiazol-2-yl]formamide

C20H26N2O2S — CID 11725960

IUPACN-[4-[(E)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]-1,3-thiazol-2-yl]formamide
SMILESCC(C)(C)c1cc(/C=C/c2csc(NC=O)n2)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H26N2O2S/c1-19(2,3)15-9-13(10-16(17(15)24)20(4,5)6)7-8-14-11-25-18(22-14)21-12-23/h7-12,24H,1-6H3,(H,21,22,23)/b8-7+
InChIKeyHZAQSLHDKHPYHV-BQYQJAHWSA-N
MW358.51 g/mol
LogP5.18
Rot. Bonds4

About N-[4-[(E)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]-1,3-thiazol-2-yl]formamide

N-[4-[(E)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]-1,3-thiazol-2-yl]formamide (PubChem CID 11725960) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[4-[(E)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]-1,3-thiazol-2-yl]formamide.

Molecular Properties

Compound NameN-[4-[(E)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]-1,3-thiazol-2-yl]formamide
PubChem CID11725960
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[4-[(E)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]-1,3-thiazol-2-yl]formamide
SMILESCC(C)(C)c1cc(/C=C/c2csc(NC=O)n2)cc(C(C)(C)C)c1O
InChIInChI=1S/C20H26N2O2S/c1-19(2,3)15-9-13(10-16(17(15)24)20(4,5)6)7-8-14-11-25-18(22-14)21-12-23/h7-12,24H,1-6H3,(H,21,22,23)/b8-7+
InChIKeyHZAQSLHDKHPYHV-BQYQJAHWSA-N
XLogP5.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.51
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]-1,3-thiazol-2-yl]formamide?
The IUPAC name of N-[4-[(E)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]-1,3-thiazol-2-yl]formamide (CID 11725960) is N-[4-[(E)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]-1,3-thiazol-2-yl]formamide.
What is the SMILES notation for N-[4-[(E)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]-1,3-thiazol-2-yl]formamide?
The canonical SMILES for N-[4-[(E)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]-1,3-thiazol-2-yl]formamide is CC(C)(C)c1cc(/C=C/c2csc(NC=O)n2)cc(C(C)(C)C)c1O.
What is the InChIKey of N-[4-[(E)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]-1,3-thiazol-2-yl]formamide?
The InChIKey is HZAQSLHDKHPYHV-BQYQJAHWSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-19(2,3)15-9-13(10-16(17(15)24)20(4,5)6)7-8-14-11-25-18(22-14)21-12-23/h7-12,24H,1-6H3,(H,21,22,23)/b8-7+.
What are the key properties of N-[4-[(E)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]-1,3-thiazol-2-yl]formamide?
N-[4-[(E)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]-1,3-thiazol-2-yl]formamide has a molecular weight of 358.51 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-2-(3,5-ditert-butyl-4-hydroxyphenyl)ethenyl]-1,3-thiazol-2-yl]formamide is sourced from PubChem (CID 11725960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).