2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide

C20H20N4O3S — CID 25052237

IUPAC2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(CCNC(=O)c3csc(C)n3)c2)ccn1
InChIInChI=1S/C20H20N4O3S/c1-13-24-18(12-28-13)20(26)23-8-6-14-4-3-5-15(10-14)27-16-7-9-22-17(11-16)19(25)21-2/h3-5,7,9-12H,6,8H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyMAXNKYZYZWWHEJ-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.97
Rot. Bonds7

About 2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide

2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 25052237) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is 2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide
PubChem CID25052237
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC Name2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(CCNC(=O)c3csc(C)n3)c2)ccn1
InChIInChI=1S/C20H20N4O3S/c1-13-24-18(12-28-13)20(26)23-8-6-14-4-3-5-15(10-14)27-16-7-9-22-17(11-16)19(25)21-2/h3-5,7,9-12H,6,8H2,1-2H3,(H,21,25)(H,23,26)
InChIKeyMAXNKYZYZWWHEJ-UHFFFAOYSA-N
XLogP2.97
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

4-[3-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051719
4-[3-[2-[[4-(dimethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051896
N-methyl-4-[3-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 25050084
4-[3-[2-[[4-(ethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 71122267
4-[3-(2-aminoethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 59685040
4-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-2-phenylpyrimidine-5-carboxamide
CID 25050082
N-methyl-4-[3-[2-[[4-(1-sulfanylethyl)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 89291718
4-[3-[2-[[4-(diethylamino)benzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 25051717
N-methyl-4-[3-[2-[[3-(trifluoromethoxy)benzoyl]amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 25050892
N-[2-(3-chlorophenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443636
4-[3-[2-[[2-(2-isocyanophenyl)sulfanylbenzoyl]amino]ethyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 59685030
4-[3-[2-[(3-methyl-1-benzothiophene-2-carbonyl)amino]ethyl]phenoxy]pyridine-2-carboxamide
CID 143640230

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide (CID 25052237) is 2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide is CNC(=O)c1cc(Oc2cccc(CCNC(=O)c3csc(C)n3)c2)ccn1.
What is the InChIKey of 2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MAXNKYZYZWWHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c1-13-24-18(12-28-13)20(26)23-8-6-14-4-3-5-15(10-14)27-16-7-9-22-17(11-16)19(25)21-2/h3-5,7,9-12H,6,8H2,1-2H3,(H,21,25)(H,23,26).
What are the key properties of 2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide?
2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 396.47 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 25052237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).