N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide

C21H22N2O2S — CID 4254438

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C21H22N2O2S/c1-2-3-13-25-19-12-8-7-11-18(19)20(24)23-21-22-15-17(26-21)14-16-9-5-4-6-10-16/h4-12,15H,2-3,13-14H2,1H3,(H,22,23,24)
InChIKeyLHIDBSQEOQKJRN-UHFFFAOYSA-N
MW366.49 g/mol
LogP5.17
Rot. Bonds8

About N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide

N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide (PubChem CID 4254438) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide
PubChem CID4254438
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide
SMILESCCCCOc1ccccc1C(=O)Nc1ncc(Cc2ccccc2)s1
InChIInChI=1S/C21H22N2O2S/c1-2-3-13-25-19-12-8-7-11-18(19)20(24)23-21-22-15-17(26-21)14-16-9-5-4-6-10-16/h4-12,15H,2-3,13-14H2,1H3,(H,22,23,24)
InChIKeyLHIDBSQEOQKJRN-UHFFFAOYSA-N
XLogP5.17
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 55.17
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

N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide
CID 4651810
N-(5-benzyl-1,3-thiazol-2-yl)-2-(difluoromethoxy)benzamide
CID 42999638
N-(5-benzyl-1,3-thiazol-2-yl)-4-propoxybenzamide
CID 4270963
2-butoxy-N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 3276355
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 3497765
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-phenylmethoxybenzamide
CID 5139165
2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 4306708
2-butoxy-N-[4-[[4-[(2-butoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4941899
2-butoxy-N-(thiatriazol-5-yl)benzamide
CID 19114331
2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 78843675
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 3891053
2-butoxy-N'-(2-phenylmethoxybenzoyl)benzohydrazide
CID 4941310

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide (CID 4254438) is N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide is CCCCOc1ccccc1C(=O)Nc1ncc(Cc2ccccc2)s1.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide?
The InChIKey is LHIDBSQEOQKJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-2-3-13-25-19-12-8-7-11-18(19)20(24)23-21-22-15-17(26-21)14-16-9-5-4-6-10-16/h4-12,15H,2-3,13-14H2,1H3,(H,22,23,24).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide?
N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide has a molecular weight of 366.49 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide is sourced from PubChem (CID 4254438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).