N-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide

C21H22N2O2S — CID 110333198

IUPACN-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide
SMILESCOc1cccc(-c2nc(CCC(=O)N(C)Cc3ccccc3)cs2)c1
InChIInChI=1S/C21H22N2O2S/c1-23(14-16-7-4-3-5-8-16)20(24)12-11-18-15-26-21(22-18)17-9-6-10-19(13-17)25-2/h3-10,13,15H,11-12,14H2,1-2H3
InChIKeyKWOYFUPPHQIMTE-UHFFFAOYSA-N
MW366.49 g/mol
LogP4.41
Rot. Bonds7

About N-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide

N-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide (PubChem CID 110333198) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide.

Molecular Properties

Compound NameN-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide
PubChem CID110333198
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide
SMILESCOc1cccc(-c2nc(CCC(=O)N(C)Cc3ccccc3)cs2)c1
InChIInChI=1S/C21H22N2O2S/c1-23(14-16-7-4-3-5-8-16)20(24)12-11-18-15-26-21(22-18)17-9-6-10-19(13-17)25-2/h3-10,13,15H,11-12,14H2,1-2H3
InChIKeyKWOYFUPPHQIMTE-UHFFFAOYSA-N
XLogP4.41
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]propanoyl]piperazine-1-carbaldehyde
CID 110333190
3-[2-[(3-methoxyphenyl)methyl-methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487225
4-(2-chloroethyl)-2-(3-methoxyphenyl)-1,3-thiazole
CID 82088342
N-benzyl-2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-N-propan-2-ylacetamide
CID 24609866
3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutyl)propanamide
CID 110333218
2-[2-[4-(3-methoxyphenoxy)phenyl]-1,3-thiazol-4-yl]acetic acid
CID 20991322
2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-N-(2-phenylethyl)acetamide
CID 55570324
2-[[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]acetic acid
CID 29132130
3,5-dimethoxy-N-[2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7693515
N-methyl-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 110333448
2-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 51073854
4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 38132380

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide?
The IUPAC name of N-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide (CID 110333198) is N-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide.
What is the SMILES notation for N-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide?
The canonical SMILES for N-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide is COc1cccc(-c2nc(CCC(=O)N(C)Cc3ccccc3)cs2)c1.
What is the InChIKey of N-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide?
The InChIKey is KWOYFUPPHQIMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-23(14-16-7-4-3-5-8-16)20(24)12-11-18-15-26-21(22-18)17-9-6-10-19(13-17)25-2/h3-10,13,15H,11-12,14H2,1-2H3.
What are the key properties of N-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide?
N-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide has a molecular weight of 366.49 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]-N-methylpropanamide is sourced from PubChem (CID 110333198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).