N-[3-[4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propyl]acetamide

C23H26N2O3S — CID 31264374

IUPACN-[3-[4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propyl]acetamide
SMILESCOc1ccc(Cc2nc(-c3ccc(CCCNC(C)=O)cc3)cs2)cc1OC
InChIInChI=1S/C23H26N2O3S/c1-16(26)24-12-4-5-17-6-9-19(10-7-17)20-15-29-23(25-20)14-18-8-11-21(27-2)22(13-18)28-3/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,24,26)
InChIKeyKETKZULMRBIDEP-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.49
Rot. Bonds9

About N-[3-[4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propyl]acetamide

N-[3-[4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propyl]acetamide (PubChem CID 31264374) has the molecular formula C23H26N2O3S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[3-[4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propyl]acetamide
PubChem CID31264374
Molecular FormulaC23H26N2O3S
Molecular Weight410.54 g/mol
Exact Mass410.17
IUPAC NameN-[3-[4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propyl]acetamide
SMILESCOc1ccc(Cc2nc(-c3ccc(CCCNC(C)=O)cc3)cs2)cc1OC
InChIInChI=1S/C23H26N2O3S/c1-16(26)24-12-4-5-17-6-9-19(10-7-17)20-15-29-23(25-20)14-18-8-11-21(27-2)22(13-18)28-3/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,24,26)
InChIKeyKETKZULMRBIDEP-UHFFFAOYSA-N
XLogP4.49
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]benzenesulfonamide
CID 60615860
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-methoxybenzamide
CID 27993083
2-(2-aminoethyl)-N-[3-(3,4-dimethoxyphenyl)propyl]-1,3-thiazole-4-carboxamide
CID 120626306
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-2-aminoacetamide;hydrochloride
CID 119271984
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532
4-N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 112773146
(E)-N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide
CID 33007716
4-(chloromethyl)-2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole
CID 60863894
3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 71691502
N-[2-[4-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]ethyl]acetamide
CID 9344065
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]hexanamide
CID 55382237
N-[4-[4-(3-acetamidopropyl)phenyl]-1,3-thiazol-2-yl]-4-amino-3-methoxybutanamide;hydrochloride
CID 120587262

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propyl]acetamide?
The IUPAC name of N-[3-[4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propyl]acetamide (CID 31264374) is N-[3-[4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propyl]acetamide.
What is the SMILES notation for N-[3-[4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propyl]acetamide?
The canonical SMILES for N-[3-[4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propyl]acetamide is COc1ccc(Cc2nc(-c3ccc(CCCNC(C)=O)cc3)cs2)cc1OC.
What is the InChIKey of N-[3-[4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propyl]acetamide?
The InChIKey is KETKZULMRBIDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3S/c1-16(26)24-12-4-5-17-6-9-19(10-7-17)20-15-29-23(25-20)14-18-8-11-21(27-2)22(13-18)28-3/h6-11,13,15H,4-5,12,14H2,1-3H3,(H,24,26).
What are the key properties of N-[3-[4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propyl]acetamide?
N-[3-[4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propyl]acetamide has a molecular weight of 410.54 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-4-yl]phenyl]propyl]acetamide is sourced from PubChem (CID 31264374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).