N-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide

C14H17N3O2S — CID 63312237

IUPACN-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1sc(=O)n(CC(=O)Nc2cccc(N)c2C)c1C
InChIInChI=1S/C14H17N3O2S/c1-8-11(15)5-4-6-12(8)16-13(18)7-17-9(2)10(3)20-14(17)19/h4-6H,7,15H2,1-3H3,(H,16,18)
InChIKeyLMOWRKXSRISBPV-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.06
Rot. Bonds3

About N-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 63312237) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is N-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID63312237
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC NameN-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCc1sc(=O)n(CC(=O)Nc2cccc(N)c2C)c1C
InChIInChI=1S/C14H17N3O2S/c1-8-11(15)5-4-6-12(8)16-13(18)7-17-9(2)10(3)20-14(17)19/h4-6H,7,15H2,1-3H3,(H,16,18)
InChIKeyLMOWRKXSRISBPV-UHFFFAOYSA-N
XLogP2.06
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2-methylphenyl)-2-(4-oxo-1-pyridinyl)acetamide
CID 62880154
3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3-fluoro-2-methylphenyl)propanamide
CID 71985747
N-(3-amino-2-methylphenyl)-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
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N-(3-amino-2-methylphenyl)-2-(1,3-dihydroisoindol-2-yl)acetamide
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CID 43247265
N-(3-amino-2-methylphenyl)-2-(6-oxopyridazin-1-yl)acetamide
CID 62851005
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(4-phenoxyphenyl)acetamide
CID 60572729
(2R)-2-[[2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-2-phenylacetic acid
CID 119367546
N-(3-amino-2-methylphenyl)-2-(2-ethylimidazol-1-yl)acetamide
CID 61402207
N-(3-amino-2-methylphenyl)-2-indazol-1-ylacetamide
CID 62141857
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide
CID 136578810
N-(3-amino-2-methylphenyl)-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)acetamide
CID 102888500

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 63312237) is N-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide is Cc1sc(=O)n(CC(=O)Nc2cccc(N)c2C)c1C.
What is the InChIKey of N-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is LMOWRKXSRISBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-8-11(15)5-4-6-12(8)16-13(18)7-17-9(2)10(3)20-14(17)19/h4-6H,7,15H2,1-3H3,(H,16,18).
What are the key properties of N-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 291.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylphenyl)-2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 63312237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).