N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C21H23N3O2S — CID 55787475

IUPACN-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCCOc1cccc(CNC(=O)c2sc(-c3ccccn3)nc2C)c1
InChIInChI=1S/C21H23N3O2S/c1-3-4-12-26-17-9-7-8-16(13-17)14-23-20(25)19-15(2)24-21(27-19)18-10-5-6-11-22-18/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,25)
InChIKeyGJSOFMCGBYAMBP-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.62
Rot. Bonds8

About N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55787475) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55787475
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCCCCOc1cccc(CNC(=O)c2sc(-c3ccccn3)nc2C)c1
InChIInChI=1S/C21H23N3O2S/c1-3-4-12-26-17-9-7-8-16(13-17)14-23-20(25)19-15(2)24-21(27-19)18-10-5-6-11-22-18/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,25)
InChIKeyGJSOFMCGBYAMBP-UHFFFAOYSA-N
XLogP4.62
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
N-[[3-(2-methoxyethoxy)phenyl]methyl]-4-methyl-2-phenyl-1,3-thiazole-5-carboxamide
CID 55804099
N-[2-(3-fluorophenoxy)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 35097252
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138190
N-[(3-carbamoylphenyl)methyl]-4-methyl-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 55872207
N-[(3-butoxyphenyl)methyl]-3-methyl-5-(methylamino)-1,2-thiazole-4-carboxamide
CID 60517443
N-[(3-butoxyphenyl)methyl]-3-ethylthiophene-2-carboxamide
CID 60566887
N'-(4-ethoxybenzoyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbohydrazide
CID 55405847
4-methyl-2-[2-oxo-2-[(3-propoxyphenyl)methylamino]ethyl]-1,3-thiazole-5-carboxylic acid
CID 9147936
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
2-(5-chlorothiophen-2-yl)-N-[[3-(cyanomethoxy)phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 86946620

Frequently Asked Questions

What is the IUPAC name of N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 55787475) is N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is CCCCOc1cccc(CNC(=O)c2sc(-c3ccccn3)nc2C)c1.
What is the InChIKey of N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is GJSOFMCGBYAMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-3-4-12-26-17-9-7-8-16(13-17)14-23-20(25)19-15(2)24-21(27-19)18-10-5-6-11-22-18/h5-11,13H,3-4,12,14H2,1-2H3,(H,23,25).
What are the key properties of N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 381.50 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butoxyphenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55787475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).