3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide

C21H22N2O2S — CID 55445874

IUPAC3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide
SMILESCc1nc(COc2cccc(C(=O)NCC(C)c3ccccc3)c2)cs1
InChIInChI=1S/C21H22N2O2S/c1-15(17-7-4-3-5-8-17)12-22-21(24)18-9-6-10-20(11-18)25-13-19-14-26-16(2)23-19/h3-11,14-15H,12-13H2,1-2H3,(H,22,24)
InChIKeyBKWMUJQAKHAJAW-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.56
Rot. Bonds7

About 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide

3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide (PubChem CID 55445874) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide
PubChem CID55445874
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide
SMILESCc1nc(COc2cccc(C(=O)NCC(C)c3ccccc3)c2)cs1
InChIInChI=1S/C21H22N2O2S/c1-15(17-7-4-3-5-8-17)12-22-21(24)18-9-6-10-20(11-18)25-13-19-14-26-16(2)23-19/h3-11,14-15H,12-13H2,1-2H3,(H,22,24)
InChIKeyBKWMUJQAKHAJAW-UHFFFAOYSA-N
XLogP4.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]butanoic acid
CID 119221411
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 92519851
2-[2-[[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]ethylsulfanyl]acetic acid
CID 119242448
N-[1-(4-fluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46643901
(2S)-2-methyl-3-[methyl-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]amino]propanoic acid
CID 97324502
N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 60596892
N-[2-(4-methoxyphenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 34803674
N-(2-methyl-6-propan-2-ylphenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 26649681
N-[1-(3,4-difluorophenyl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46643860
N-(2-fluorophenyl)-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17486337
N-[1-(4-methyl-2-phenyl-1,3-thiazol-5-yl)ethyl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 60568835
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenoxy-3-pyridinyl)benzamide
CID 43072092

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide?
The IUPAC name of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide (CID 55445874) is 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide.
What is the SMILES notation for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide?
The canonical SMILES for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide is Cc1nc(COc2cccc(C(=O)NCC(C)c3ccccc3)c2)cs1.
What is the InChIKey of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide?
The InChIKey is BKWMUJQAKHAJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-15(17-7-4-3-5-8-17)12-22-21(24)18-9-6-10-20(11-18)25-13-19-14-26-16(2)23-19/h3-11,14-15H,12-13H2,1-2H3,(H,22,24).
What are the key properties of 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide?
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide has a molecular weight of 366.49 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide is sourced from PubChem (CID 55445874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).