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

C21H22N2O2S — CID 23613053

IUPAC2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCCCCOc1ccccc1C(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H22N2O2S/c1-2-3-13-25-19-12-8-7-11-18(19)20(24)22-14-17-15-26-21(23-17)16-9-5-4-6-10-16/h4-12,15H,2-3,13-14H2,1H3,(H,22,24)
InChIKeyIRXGKPBBCBOHHV-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.92
Rot. Bonds8

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

2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide (PubChem CID 23613053) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
PubChem CID23613053
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
SMILESCCCCOc1ccccc1C(=O)NCc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H22N2O2S/c1-2-3-13-25-19-12-8-7-11-18(19)20(24)22-14-17-15-26-21(23-17)16-9-5-4-6-10-16/h4-12,15H,2-3,13-14H2,1H3,(H,22,24)
InChIKeyIRXGKPBBCBOHHV-UHFFFAOYSA-N
XLogP4.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide?
The IUPAC name of 2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide (CID 23613053) is 2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide is CCCCOc1ccccc1C(=O)NCc1csc(-c2ccccc2)n1.
What is the InChIKey of 2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide?
The InChIKey is IRXGKPBBCBOHHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-2-3-13-25-19-12-8-7-11-18(19)20(24)22-14-17-15-26-21(23-17)16-9-5-4-6-10-16/h4-12,15H,2-3,13-14H2,1H3,(H,22,24).
What are the key properties of 2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide?
2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide has a molecular weight of 366.49 g/mol, XLogP of 4.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide is sourced from PubChem (CID 23613053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).