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

C22H24N2O2S — CID 110421321

IUPACN-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCc1nc(C)c(Cc2ccccc2)s1
InChIInChI=1S/C22H24N2O2S/c1-16-20(14-17-8-4-3-5-9-17)27-22(24-16)15-23-21(25)13-12-18-10-6-7-11-19(18)26-2/h3-11H,12-15H2,1-2H3,(H,23,25)
InChIKeyTXRIAGDRYMLJSJ-UHFFFAOYSA-N
MW380.51 g/mol
LogP4.30
Rot. Bonds8

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

N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide (PubChem CID 110421321) has the molecular formula C22H24N2O2S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide
PubChem CID110421321
Molecular FormulaC22H24N2O2S
Molecular Weight380.51 g/mol
Exact Mass380.16
IUPAC NameN-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1CCC(=O)NCc1nc(C)c(Cc2ccccc2)s1
InChIInChI=1S/C22H24N2O2S/c1-16-20(14-17-8-4-3-5-9-17)27-22(24-16)15-23-21(25)13-12-18-10-6-7-11-19(18)26-2/h3-11H,12-15H2,1-2H3,(H,23,25)
InChIKeyTXRIAGDRYMLJSJ-UHFFFAOYSA-N
XLogP4.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-(2-methoxyphenyl)acetamide
CID 110446475
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-2-ethylbutanamide
CID 110421255
N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-3-phenylpropanamide
CID 110441535
1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea
CID 110645409
2-[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64661687
2-[3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 120550517
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
N-(2-benzylphenyl)-3-(2-methoxyphenyl)propanamide
CID 8023813
N-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)propanamide
CID 40600143
3-(2-methoxyphenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]propanamide
CID 110718437
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-(2-methoxyphenyl)acetamide
CID 71795614
2-(2-benzyl-4-methyl-1,3-thiazol-5-yl)-N-(2-methoxyethyl)acetamide
CID 110372288

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide?
The IUPAC name of N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide (CID 110421321) is N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide?
The canonical SMILES for N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide is COc1ccccc1CCC(=O)NCc1nc(C)c(Cc2ccccc2)s1.
What is the InChIKey of N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide?
The InChIKey is TXRIAGDRYMLJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2S/c1-16-20(14-17-8-4-3-5-9-17)27-22(24-16)15-23-21(25)13-12-18-10-6-7-11-19(18)26-2/h3-11H,12-15H2,1-2H3,(H,23,25).
What are the key properties of N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide?
N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 380.51 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-4-methyl-1,3-thiazol-2-yl)methyl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 110421321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).