N-[5-[(4-bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methoxypropanamide

C22H24BrN3O3S — CID 174707420

IUPACN-[5-[(4-bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methoxypropanamide
SMILESCCc1cc(-c2nc(NC(=O)C(C)OC)c(COCc3ccc(Br)cc3)s2)ccn1
InChIInChI=1S/C22H24BrN3O3S/c1-4-18-11-16(9-10-24-18)22-26-20(25-21(27)14(2)28-3)19(30-22)13-29-12-15-5-7-17(23)8-6-15/h5-11,14H,4,12-13H2,1-3H3,(H,25,27)
InChIKeyAUOJWNFDIITYLL-UHFFFAOYSA-N
MW490.42 g/mol
LogP5.22
Rot. Bonds9

About N-[5-[(4-bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methoxypropanamide

N-[5-[(4-bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methoxypropanamide (PubChem CID 174707420) has the molecular formula C22H24BrN3O3S and a molecular weight of 490.42 g/mol. Its IUPAC name is N-[5-[(4-bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methoxypropanamide.

Molecular Properties

Compound NameN-[5-[(4-bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methoxypropanamide
PubChem CID174707420
Molecular FormulaC22H24BrN3O3S
Molecular Weight490.42 g/mol
Exact Mass489.07
IUPAC NameN-[5-[(4-bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methoxypropanamide
SMILESCCc1cc(-c2nc(NC(=O)C(C)OC)c(COCc3ccc(Br)cc3)s2)ccn1
InChIInChI=1S/C22H24BrN3O3S/c1-4-18-11-16(9-10-24-18)22-26-20(25-21(27)14(2)28-3)19(30-22)13-29-12-15-5-7-17(23)8-6-15/h5-11,14H,4,12-13H2,1-3H3,(H,25,27)
InChIKeyAUOJWNFDIITYLL-UHFFFAOYSA-N
XLogP5.22
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.42
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[(4-bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methoxypropanamide with MolForge

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Related Compounds

2-(4-bromophenyl)-5-[(4-bromophenyl)methoxymethyl]-4-methyl-1,3-thiazole
CID 86302272
2-(2-ethyl-4-pyridinyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 141289102
chlorobenzene;5-(ethoxymethyl)-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazole
CID 174714717
N-[4-(bromomethyl)phenyl]-2-(2-ethyl-4-pyridinyl)-4-methyl-1,3-thiazol-5-amine
CID 86299995
N-(2-bromo-4-pyridinyl)-2-methoxypropanamide
CID 131128808
tert-butyl N-(5-ethyl-2-pyridin-4-yl-1,3-thiazol-4-yl)carbamate
CID 123401644
4-methyl-N-propan-2-yl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
CID 53367712
2-(4-bromophenoxy)-N-(4-ethylphenyl)propanamide
CID 132791420
methyl (2R)-2-[(4-bromophenyl)methoxy]propanoate
CID 103338168
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]propanoic acid
CID 105345020
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]acetic acid
CID 105345019
methyl 4-bromo-2-(2-methoxypropanoylamino)benzoate
CID 126841119

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methoxypropanamide?
The IUPAC name of N-[5-[(4-bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methoxypropanamide (CID 174707420) is N-[5-[(4-bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methoxypropanamide.
What is the SMILES notation for N-[5-[(4-bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methoxypropanamide?
The canonical SMILES for N-[5-[(4-bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methoxypropanamide is CCc1cc(-c2nc(NC(=O)C(C)OC)c(COCc3ccc(Br)cc3)s2)ccn1.
What is the InChIKey of N-[5-[(4-bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methoxypropanamide?
The InChIKey is AUOJWNFDIITYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24BrN3O3S/c1-4-18-11-16(9-10-24-18)22-26-20(25-21(27)14(2)28-3)19(30-22)13-29-12-15-5-7-17(23)8-6-15/h5-11,14H,4,12-13H2,1-3H3,(H,25,27).
What are the key properties of N-[5-[(4-bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methoxypropanamide?
N-[5-[(4-bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methoxypropanamide has a molecular weight of 490.42 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-bromophenyl)methoxymethyl]-2-(2-ethyl-4-pyridinyl)-1,3-thiazol-4-yl]-2-methoxypropanamide is sourced from PubChem (CID 174707420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).