N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide

C22H24N2O3S — CID 110333516

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
SMILESCOc1ccc(CNC(=O)CCc2csc(-c3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C22H24N2O3S/c1-15-4-7-17(8-5-15)22-24-18(14-28-22)9-11-21(25)23-13-16-6-10-19(26-2)20(12-16)27-3/h4-8,10,12,14H,9,11,13H2,1-3H3,(H,23,25)
InChIKeyDXKLKYMBEVJKEX-UHFFFAOYSA-N
MW396.51 g/mol
LogP4.38
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide

N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide (PubChem CID 110333516) has the molecular formula C22H24N2O3S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
PubChem CID110333516
Molecular FormulaC22H24N2O3S
Molecular Weight396.51 g/mol
Exact Mass396.15
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
SMILESCOc1ccc(CNC(=O)CCc2csc(-c3ccc(C)cc3)n2)cc1OC
InChIInChI=1S/C22H24N2O3S/c1-15-4-7-17(8-5-15)22-24-18(14-28-22)9-11-21(25)23-13-16-6-10-19(26-2)20(12-16)27-3/h4-8,10,12,14H,9,11,13H2,1-3H3,(H,23,25)
InChIKeyDXKLKYMBEVJKEX-UHFFFAOYSA-N
XLogP4.38
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]acetamide
CID 55781370
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]acetamide
CID 55713708
methyl 5-[[[2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]-2-methoxybenzoate
CID 60527853
2-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 17164148
N-[(2-methoxyphenyl)methyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110329998
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 9404366
N-tert-butyl-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide
CID 110333523
2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 9404295
2-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 110742865
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 46807296
3-(3,4-dimethoxyphenyl)-N-[(2-methyl-1,3-oxazol-4-yl)methyl]propanamide
CID 110742436

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide (CID 110333516) is N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide is COc1ccc(CNC(=O)CCc2csc(-c3ccc(C)cc3)n2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide?
The InChIKey is DXKLKYMBEVJKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3S/c1-15-4-7-17(8-5-15)22-24-18(14-28-22)9-11-21(25)23-13-16-6-10-19(26-2)20(12-16)27-3/h4-8,10,12,14H,9,11,13H2,1-3H3,(H,23,25).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide has a molecular weight of 396.51 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propanamide is sourced from PubChem (CID 110333516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).