N-(2,3-dimethylphenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]acetamide

C17H23N3OS — CID 50983196

IUPACN-(2,3-dimethylphenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]acetamide
SMILESCc1cccc(NC(=O)CNCCCc2scnc2C)c1C
InChIInChI=1S/C17H23N3OS/c1-12-6-4-7-15(13(12)2)20-17(21)10-18-9-5-8-16-14(3)19-11-22-16/h4,6-7,11,18H,5,8-10H2,1-3H3,(H,20,21)
InChIKeyZALXRWPPPUGFMB-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.23
Rot. Bonds7

About N-(2,3-dimethylphenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]acetamide

N-(2,3-dimethylphenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]acetamide (PubChem CID 50983196) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]acetamide
PubChem CID50983196
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-(2,3-dimethylphenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]acetamide
SMILESCc1cccc(NC(=O)CNCCCc2scnc2C)c1C
InChIInChI=1S/C17H23N3OS/c1-12-6-4-7-15(13(12)2)20-17(21)10-18-9-5-8-16-14(3)19-11-22-16/h4,6-7,11,18H,5,8-10H2,1-3H3,(H,20,21)
InChIKeyZALXRWPPPUGFMB-UHFFFAOYSA-N
XLogP3.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylphenyl)-2-(hexadecylamino)acetamide
CID 54808961
N-(2,3-dimethylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908653
N-(2,3-dimethylphenyl)-2-(2-methylpropylamino)acetamide
CID 108993242
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
2-(benzylamino)-N-(2,3-dimethylphenyl)acetamide
CID 54813873
N-(3-chloro-2-methylphenyl)-2-(3-phenylpropylamino)acetamide
CID 109005057
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
N-(2,3-dimethylphenyl)-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000898
2-(butylamino)-N-(2-methylphenyl)acetamide;hydrochloride
CID 3026030
N-(2,3-dimethylphenyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 27808986
N-(2,3-dichlorophenyl)-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679766
N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide
CID 108951456

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]acetamide (CID 50983196) is N-(2,3-dimethylphenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]acetamide is Cc1cccc(NC(=O)CNCCCc2scnc2C)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]acetamide?
The InChIKey is ZALXRWPPPUGFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-12-6-4-7-15(13(12)2)20-17(21)10-18-9-5-8-16-14(3)19-11-22-16/h4,6-7,11,18H,5,8-10H2,1-3H3,(H,20,21).
What are the key properties of N-(2,3-dimethylphenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]acetamide?
N-(2,3-dimethylphenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]acetamide has a molecular weight of 317.46 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[3-(4-methyl-1,3-thiazol-5-yl)propylamino]acetamide is sourced from PubChem (CID 50983196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).