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

C22H24N2O2S — CID 3302590

IUPAC4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1
InChIInChI=1S/C22H24N2O2S/c1-4-5-12-26-19-10-8-17(9-11-19)21(25)24-22-23-20(14-27-22)18-7-6-15(2)16(3)13-18/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,24,25)
InChIKeyFPRDLANIJQFYLQ-UHFFFAOYSA-N
MW380.51 g/mol
LogP5.86
Rot. Bonds7

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

4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 3302590) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is 4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID3302590
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC Name4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCCCOc1ccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1
InChIInChI=1S/C22H24N2O2S/c1-4-5-12-26-19-10-8-17(9-11-19)21(25)24-22-23-20(14-27-22)18-7-6-15(2)16(3)13-18/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,24,25)
InChIKeyFPRDLANIJQFYLQ-UHFFFAOYSA-N
XLogP5.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.51
LogP ≤ 55.86
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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Related Compounds

4-pentoxy-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 4114659
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 7915421
4-(diethylamino)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide
CID 4646217
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-3-methoxybenzamide
CID 19195208
4-benzoyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 5235425
3-butoxy-N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)benzamide
CID 3524855
3-pentoxy-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4686613
N-[4-(5-bromothiophen-2-yl)-1,3-thiazol-2-yl]-4-butoxybenzamide
CID 5048299
4-ethylsulfanyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 41044361
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-4,6-dimethylpyridine-2-carboxamide
CID 19224461
2,5-dimethyl-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 4591779
N-[4-(4-butoxyphenyl)-1,3-thiazol-2-yl]-2-chloroacetamide
CID 19194823

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide (CID 3302590) is 4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide is CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1.
What is the InChIKey of 4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is FPRDLANIJQFYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-4-5-12-26-19-10-8-17(9-11-19)21(25)24-22-23-20(14-27-22)18-7-6-15(2)16(3)13-18/h6-11,13-14H,4-5,12H2,1-3H3,(H,23,24,25).
What are the key properties of 4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide?
4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 380.51 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 3302590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).