N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide

C20H22N4O3S — CID 72719801

IUPACN-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide
SMILESCOc1ccc(-c2nc(CCNC(=O)CCc3ccc(=O)n(C)n3)cs2)cc1
InChIInChI=1S/C20H22N4O3S/c1-24-19(26)10-6-15(23-24)5-9-18(25)21-12-11-16-13-28-20(22-16)14-3-7-17(27-2)8-4-14/h3-4,6-8,10,13H,5,9,11-12H2,1-2H3,(H,21,25)
InChIKeyXPLPIYBXJMCXPH-UHFFFAOYSA-N
MW398.49 g/mol
LogP2.20
Rot. Bonds8

About N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide

N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide (PubChem CID 72719801) has the molecular formula C20H22N4O3S and a molecular weight of 398.49 g/mol. Its IUPAC name is N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide
PubChem CID72719801
Molecular FormulaC20H22N4O3S
Molecular Weight398.49 g/mol
Exact Mass398.14
IUPAC NameN-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide
SMILESCOc1ccc(-c2nc(CCNC(=O)CCc3ccc(=O)n(C)n3)cs2)cc1
InChIInChI=1S/C20H22N4O3S/c1-24-19(26)10-6-15(23-24)5-9-18(25)21-12-11-16-13-28-20(22-16)14-3-7-17(27-2)8-4-14/h3-4,6-8,10,13H,5,9,11-12H2,1-2H3,(H,21,25)
InChIKeyXPLPIYBXJMCXPH-UHFFFAOYSA-N
XLogP2.20
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.49
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]butanamide
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N-tert-butyl-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]propanamide
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N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-phenylacetamide
CID 35344893
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)acetamide
CID 90517425
N-[2-(4-methoxyphenoxy)ethyl]-3-(2-pyridin-4-yl-1,3-thiazol-4-yl)propanamide
CID 110330031
1,1-diethyl-3-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]urea
CID 110317498
ethyl N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]carbamate
CID 110317496
N-(2-methoxyethyl)-3-(2-phenyl-1,3-thiazol-4-yl)propanamide
CID 110332864
N-[2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 118789706
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)propanamide
CID 121101057
3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398093
2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide?
The IUPAC name of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide (CID 72719801) is N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide.
What is the SMILES notation for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide?
The canonical SMILES for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide is COc1ccc(-c2nc(CCNC(=O)CCc3ccc(=O)n(C)n3)cs2)cc1.
What is the InChIKey of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide?
The InChIKey is XPLPIYBXJMCXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3S/c1-24-19(26)10-6-15(23-24)5-9-18(25)21-12-11-16-13-28-20(22-16)14-3-7-17(27-2)8-4-14/h3-4,6-8,10,13H,5,9,11-12H2,1-2H3,(H,21,25).
What are the key properties of N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide?
N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide has a molecular weight of 398.49 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]-3-(1-methyl-6-oxopyridazin-3-yl)propanamide is sourced from PubChem (CID 72719801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).