3-[2-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)propanamide

C20H19BrN4O3S — CID 86631511

IUPAC3-[2-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)propanamide
SMILESCC(=O)CNC(=O)CCc1csc(Nc2ncc(Br)cc2Oc2ccccc2)n1
InChIInChI=1S/C20H19BrN4O3S/c1-13(26)10-22-18(27)8-7-15-12-29-20(24-15)25-19-17(9-14(21)11-23-19)28-16-5-3-2-4-6-16/h2-6,9,11-12H,7-8,10H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyWUALWOPTRXQINW-UHFFFAOYSA-N
MW475.37 g/mol
LogP4.47
Rot. Bonds9

About 3-[2-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)propanamide

3-[2-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)propanamide (PubChem CID 86631511) has the molecular formula C20H19BrN4O3S and a molecular weight of 475.37 g/mol. Its IUPAC name is 3-[2-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)propanamide.

Molecular Properties

Compound Name3-[2-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)propanamide
PubChem CID86631511
Molecular FormulaC20H19BrN4O3S
Molecular Weight475.37 g/mol
Exact Mass474.04
IUPAC Name3-[2-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)propanamide
SMILESCC(=O)CNC(=O)CCc1csc(Nc2ncc(Br)cc2Oc2ccccc2)n1
InChIInChI=1S/C20H19BrN4O3S/c1-13(26)10-22-18(27)8-7-15-12-29-20(24-15)25-19-17(9-14(21)11-23-19)28-16-5-3-2-4-6-16/h2-6,9,11-12H,7-8,10H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyWUALWOPTRXQINW-UHFFFAOYSA-N
XLogP4.47
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.37
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[2-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)propanamide 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

2-[2-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanenitrile
CID 154484909
methyl 3-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]propanoate
CID 59225684
2-[[6-[(4-methyl-1,3-thiazol-2-yl)amino]-5-phenoxy-3-pyridinyl]sulfanyl]-N-(2-pyrrolidin-1-ylethyl)acetamide;dihydrochloride
CID 87228998
4-methyl-N-[5-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-phenoxy-2-pyridinyl]-1,3-thiazol-2-amine
CID 24765373
N-(3-methoxyphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453418
N-(5-benzylsulfanyl-3-phenoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 24765640
N-[2-[2-(methylamino)-1,3-thiazol-4-yl]ethyl]-2-phenoxyacetamide
CID 110397880
3-[2-(4-bromo-2,6-dimethylanilino)-1,3-thiazol-4-yl]propanoic acid
CID 103487757
N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208483
N-(4-bromo-3-methylphenyl)-3-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]propanamide
CID 27453484
N-[4-[3-(4-bromoanilino)-3-oxopropyl]-1,3-thiazol-2-yl]benzamide
CID 42208842
1-phenyl-3-[2-[2-[(3-phenylmethoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]ethyl]urea
CID 59225705

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)propanamide?
The IUPAC name of 3-[2-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)propanamide (CID 86631511) is 3-[2-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)propanamide.
What is the SMILES notation for 3-[2-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)propanamide?
The canonical SMILES for 3-[2-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)propanamide is CC(=O)CNC(=O)CCc1csc(Nc2ncc(Br)cc2Oc2ccccc2)n1.
What is the InChIKey of 3-[2-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)propanamide?
The InChIKey is WUALWOPTRXQINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O3S/c1-13(26)10-22-18(27)8-7-15-12-29-20(24-15)25-19-17(9-14(21)11-23-19)28-16-5-3-2-4-6-16/h2-6,9,11-12H,7-8,10H2,1H3,(H,22,27)(H,23,24,25).
What are the key properties of 3-[2-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)propanamide?
3-[2-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)propanamide has a molecular weight of 475.37 g/mol, XLogP of 4.47, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(5-bromo-3-phenoxy-2-pyridinyl)amino]-1,3-thiazol-4-yl]-N-(2-oxopropyl)propanamide is sourced from PubChem (CID 86631511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).