N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide

C19H18N2O2S — CID 720018

IUPACN-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
SMILESCOc1ccc(Cc2cnc(NC(=O)c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C19H18N2O2S/c1-13-3-7-15(8-4-13)18(22)21-19-20-12-17(24-19)11-14-5-9-16(23-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,20,21,22)
InChIKeyJVQNRUDQJNHIAK-UHFFFAOYSA-N
MW338.43 g/mol
LogP4.30
Rot. Bonds5

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

N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide (PubChem CID 720018) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
PubChem CID720018
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC NameN-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide
SMILESCOc1ccc(Cc2cnc(NC(=O)c3ccc(C)cc3)s2)cc1
InChIInChI=1S/C19H18N2O2S/c1-13-3-7-15(8-4-13)18(22)21-19-20-12-17(24-19)11-14-5-9-16(23-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,20,21,22)
InChIKeyJVQNRUDQJNHIAK-UHFFFAOYSA-N
XLogP4.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[(4-Methoxyphenyl)carbonylamino]-1,3-Thiazol-5-Yl]benzoic Acid
CID 57342036
4-methoxy-N-(1,3-thiazol-2-yl)benzamide
CID 721308
N-(5-(3,5-difluorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45270906
2-methoxy-4-methylsulfanyl-N-(5-methyl-1,3-thiazol-2-yl)benzamide
CID 2558548
N-(5-methyl-1,3-thiazol-2-yl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4527908
N-(5-(4-methoxybenzyl)thiazol-2-yl)thiophene-2-carboxamide
CID 779445
(2-Fluoro-phenyl)-[2-(3-methoxy-phenylamino)-thiazol-5-yl]-methanone
CID 44390110
3-(2-hydroxyethoxy)-4-methoxy-N-(5-(3-(trifluoromethoxy)benzyl)thiazol-2-yl)benzamide
CID 45267479
N-(5-(3-fluoro-4-methylbenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45268354
N-(5-(3,4-difluorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45272625
N-(5-(3-fluorobenzyl)thiazol-2-yl)-3-(2-hydroxyethoxy)-4-methoxybenzamide
CID 45273509
N-(4-(4-(4-methoxybenzyl)-2,6-dimethylphenyl)thiazol-2-yl)isonicotinamide
CID 53389652

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide?
The IUPAC name of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide (CID 720018) is N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide is COc1ccc(Cc2cnc(NC(=O)c3ccc(C)cc3)s2)cc1.
What is the InChIKey of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide?
The InChIKey is JVQNRUDQJNHIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-13-3-7-15(8-4-13)18(22)21-19-20-12-17(24-19)11-14-5-9-16(23-2)10-6-14/h3-10,12H,11H2,1-2H3,(H,20,21,22).
What are the key properties of N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide?
N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide has a molecular weight of 338.43 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-4-methylbenzamide is sourced from PubChem (CID 720018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).