N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide

C21H22N2O2S — CID 4651810

IUPACN-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1ncc(Cc2ccc(C)cc2)s1
InChIInChI=1S/C21H22N2O2S/c1-3-12-25-19-7-5-4-6-18(19)20(24)23-21-22-14-17(26-21)13-16-10-8-15(2)9-11-16/h4-11,14H,3,12-13H2,1-2H3,(H,22,23,24)
InChIKeyHOFROYQOKILOPP-UHFFFAOYSA-N
MW366.49 g/mol
LogP5.08
Rot. Bonds7

About N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide

N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide (PubChem CID 4651810) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide.

Molecular Properties

Compound NameN-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide
PubChem CID4651810
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide
SMILESCCCOc1ccccc1C(=O)Nc1ncc(Cc2ccc(C)cc2)s1
InChIInChI=1S/C21H22N2O2S/c1-3-12-25-19-7-5-4-6-18(19)20(24)23-21-22-14-17(26-21)13-16-10-8-15(2)9-11-16/h4-11,14H,3,12-13H2,1-2H3,(H,22,23,24)
InChIKeyHOFROYQOKILOPP-UHFFFAOYSA-N
XLogP5.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.49
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-benzyl-1,3-thiazol-2-yl)-2-butoxybenzamide
CID 4254438
N-[5-[(3,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 3497765
2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 4306708
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
N-[5-(2-hydroxyethyl)-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 167969899
4-hexoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 5196825
2-(2-amino-2-oxoethoxy)-N-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 78843675
4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 4684424
2-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 18827616
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propoxybenzamide
CID 54787299
N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-ethoxybenzamide
CID 3891053

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide?
The IUPAC name of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide (CID 4651810) is N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide.
What is the SMILES notation for N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide?
The canonical SMILES for N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide is CCCOc1ccccc1C(=O)Nc1ncc(Cc2ccc(C)cc2)s1.
What is the InChIKey of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide?
The InChIKey is HOFROYQOKILOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-3-12-25-19-7-5-4-6-18(19)20(24)23-21-22-14-17(26-21)13-16-10-8-15(2)9-11-16/h4-11,14H,3,12-13H2,1-2H3,(H,22,23,24).
What are the key properties of N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide?
N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide has a molecular weight of 366.49 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]-2-propoxybenzamide is sourced from PubChem (CID 4651810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).