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

C21H22N2O2S — CID 110645143

IUPACN-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCc2ncc(Cc3ccccc3)s2)c1
InChIInChI=1S/C21H22N2O2S/c1-25-18-9-5-8-17(12-18)10-11-20(24)22-15-21-23-14-19(26-21)13-16-6-3-2-4-7-16/h2-9,12,14H,10-11,13,15H2,1H3,(H,22,24)
InChIKeyHMYZDVBTHOXOHD-UHFFFAOYSA-N
MW366.49 g/mol
LogP3.99
Rot. Bonds8

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

N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide (PubChem CID 110645143) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide
PubChem CID110645143
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC NameN-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)NCc2ncc(Cc3ccccc3)s2)c1
InChIInChI=1S/C21H22N2O2S/c1-25-18-9-5-8-17(12-18)10-11-20(24)22-15-21-23-14-19(26-21)13-16-6-3-2-4-7-16/h2-9,12,14H,10-11,13,15H2,1H3,(H,22,24)
InChIKeyHMYZDVBTHOXOHD-UHFFFAOYSA-N
XLogP3.99
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473
N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-2-(4-chlorophenoxy)acetamide
CID 110645117
3-(3-methoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110714640
3-(3-methoxyphenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 47399076
N-[2-(5-benzyl-1,3-thiazol-2-yl)ethyl]-4-phenoxybutanamide
CID 110645468
3-(3-methoxyphenyl)-N-(3-phenylpropyl)propanamide
CID 127121905
N-(5-benzyl-1,3-thiazol-2-yl)-2-(3-methoxyphenoxy)acetamide
CID 18836083
3-(3-methylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]propanamide
CID 110738980
2-(3-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 86825840
N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 37035111
N-(2-hydroxy-3-phenylpropyl)-3-(3-methoxyphenyl)propanamide
CID 111102377
3-(3-methoxyphenyl)-N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propanamide
CID 110408609

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide (CID 110645143) is N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)NCc2ncc(Cc3ccccc3)s2)c1.
What is the InChIKey of N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide?
The InChIKey is HMYZDVBTHOXOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-25-18-9-5-8-17(12-18)10-11-20(24)22-15-21-23-14-19(26-21)13-16-6-3-2-4-7-16/h2-9,12,14H,10-11,13,15H2,1H3,(H,22,24).
What are the key properties of N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide?
N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide has a molecular weight of 366.49 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzyl-1,3-thiazol-2-yl)methyl]-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 110645143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).