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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Related Compounds

N-(4-ethoxyphenyl)-4-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 892238
2-(2-methoxyphenyl)-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 2738815
[2-[2-(4-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 16245966
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]furan-3-carboxamide
CID 71973734
N-[4-(1,3-benzothiazol-2-yl)benzyl]-2-methoxybenzamide
CID 979773
N,2-bis[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472618
N-[(2-methoxyphenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 1472640
(2,5-Dimethoxyphenyl)[4-({4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-piperazinyl}carbonyl)phenyl]methanone
CID 2945389
2-benzyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3428654
N-(2-(2-(4-methoxyphenyl)thiazol-4-yl)ethyl)thiophene-2-carboxamide
CID 7119205
4-ethoxy-N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}benzamide
CID 7207738
2-(4-ethoxyphenyl)-N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}acetamide
CID 7216480

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).