2-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-sulfonamide

C18H18BrN3O3S2 — CID 56513116

IUPAC2-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-sulfonamide
SMILESCOCCN(Cc1cccnc1)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C18H18BrN3O3S2/c1-25-10-9-22(12-14-3-2-8-20-11-14)27(23,24)17-13-26-18(21-17)15-4-6-16(19)7-5-15/h2-8,11,13H,9-10,12H2,1H3
InChIKeyIDJXQOQURNIWNL-UHFFFAOYSA-N
MW468.40 g/mol
LogP3.80
Rot. Bonds8

About 2-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-sulfonamide

2-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-sulfonamide (PubChem CID 56513116) has the molecular formula C18H18BrN3O3S2 and a molecular weight of 468.40 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-sulfonamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-sulfonamide
PubChem CID56513116
Molecular FormulaC18H18BrN3O3S2
Molecular Weight468.40 g/mol
Exact Mass467.00
IUPAC Name2-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-sulfonamide
SMILESCOCCN(Cc1cccnc1)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C18H18BrN3O3S2/c1-25-10-9-22(12-14-3-2-8-20-11-14)27(23,24)17-13-26-18(21-17)15-4-6-16(19)7-5-15/h2-8,11,13H,9-10,12H2,1H3
InChIKeyIDJXQOQURNIWNL-UHFFFAOYSA-N
XLogP3.80
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.40
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 121085018
(2R)-2-(4-bromothiophen-2-yl)-2-(dimethylamino)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 95784900
N-benzyl-N-(2-methoxyethyl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetamide
CID 99152320
2-bromo-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 121085252
N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 86824224
N-(2-methoxyethyl)-3-methyl-N-(pyridin-3-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 133430451
N-(2-cyanoethyl)-4-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 4825697
5-bromo-N-(furan-2-ylmethyl)-2-methoxy-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 30668627
N-ethyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 174517903
N-[2-(2-fluorophenyl)ethyl]-2-methoxy-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110424688
lithium N,N-bis(pyridin-3-ylmethyl)sulfamate
CID 153347507
N-[(4-ethylphenyl)methyl]-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 35541680

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-sulfonamide?
The IUPAC name of 2-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-sulfonamide (CID 56513116) is 2-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-sulfonamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-sulfonamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-sulfonamide is COCCN(Cc1cccnc1)S(=O)(=O)c1csc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-sulfonamide?
The InChIKey is IDJXQOQURNIWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrN3O3S2/c1-25-10-9-22(12-14-3-2-8-20-11-14)27(23,24)17-13-26-18(21-17)15-4-6-16(19)7-5-15/h2-8,11,13H,9-10,12H2,1H3.
What are the key properties of 2-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-sulfonamide?
2-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-sulfonamide has a molecular weight of 468.40 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(2-methoxyethyl)-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-sulfonamide is sourced from PubChem (CID 56513116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).