N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide

C13H15N3O2S — CID 82342336

IUPACN-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(C)=O)sc2N)cc1C
InChIInChI=1S/C13H15N3O2S/c1-7-6-9(4-5-10(7)18-3)11-12(14)19-13(16-11)15-8(2)17/h4-6H,14H2,1-3H3,(H,15,16,17)
InChIKeyCPKVFLXVJUNACM-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.67
Rot. Bonds3

About N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide

N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 82342336) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID82342336
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC NameN-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide
SMILESCOc1ccc(-c2nc(NC(C)=O)sc2N)cc1C
InChIInChI=1S/C13H15N3O2S/c1-7-6-9(4-5-10(7)18-3)11-12(14)19-13(16-11)15-8(2)17/h4-6H,14H2,1-3H3,(H,15,16,17)
InChIKeyCPKVFLXVJUNACM-UHFFFAOYSA-N
XLogP2.67
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
CID 82342338
2,2,2-trichloro-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 108738227
N-[5-amino-4-(4-fluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 82342305
2-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82133572
ethyl [4-[[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenyl] carbonate
CID 108761038
methyl 4-amino-3-(4-methoxy-3-methylphenyl)-1,2-thiazole-5-carboxylate
CID 13073197
2-(4-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 108761142
[3-[[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]carbamoyl]phenyl] acetate
CID 108761036
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-3,3-diphenylpropanamide
CID 108738339
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-6-oxo-1H-pyridazine-3-carboxamide
CID 108738200
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 108761148
4-(4-methoxy-3-methylphenyl)-1,3-thiazol-5-amine
CID 62132077

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide (CID 82342336) is N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide is COc1ccc(-c2nc(NC(C)=O)sc2N)cc1C.
What is the InChIKey of N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is CPKVFLXVJUNACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-7-6-9(4-5-10(7)18-3)11-12(14)19-13(16-11)15-8(2)17/h4-6H,14H2,1-3H3,(H,15,16,17).
What are the key properties of N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide?
N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 277.35 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 82342336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).