N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide

C16H21N3OS — CID 119509228

IUPACN-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCNCCNC(=O)Cc1csc(-c2cccc(C)c2)n1
InChIInChI=1S/C16H21N3OS/c1-3-17-7-8-18-15(20)10-14-11-21-16(19-14)13-6-4-5-12(2)9-13/h4-6,9,11,17H,3,7-8,10H2,1-2H3,(H,18,20)
InChIKeyDQCPZWFLBYAHEC-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.39
Rot. Bonds7

About N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide

N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (PubChem CID 119509228) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
PubChem CID119509228
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC NameN-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
SMILESCCNCCNC(=O)Cc1csc(-c2cccc(C)c2)n1
InChIInChI=1S/C16H21N3OS/c1-3-17-7-8-18-15(20)10-14-11-21-16(19-14)13-6-4-5-12(2)9-13/h4-6,9,11,17H,3,7-8,10H2,1-2H3,(H,18,20)
InChIKeyDQCPZWFLBYAHEC-UHFFFAOYSA-N
XLogP2.39
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.39
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-(tert-butylamino)-2-oxoethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 41276962
N-(3-aminobutyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide;dihydrochloride
CID 119499385
methyl 6-[[2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetyl]amino]hexanoate
CID 31840507
N-[2-(ethylamino)ethyl]-2-[2-(furan-3-yl)-1,3-thiazol-4-yl]acetamide
CID 119506982
N-[2-(ethylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119508736
N-cyclopropyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 17438306
N-(3-amino-2-methylpropyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 119995232
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 24647124
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 9404366
N-(3-benzylsulfonylpropyl)-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78900004
N-[2-(ethylamino)ethyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide;dihydrochloride
CID 119506122
N,N-diethyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 78809222

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide (CID 119509228) is N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is CCNCCNC(=O)Cc1csc(-c2cccc(C)c2)n1.
What is the InChIKey of N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is DQCPZWFLBYAHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-3-17-7-8-18-15(20)10-14-11-21-16(19-14)13-6-4-5-12(2)9-13/h4-6,9,11,17H,3,7-8,10H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide?
N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 303.43 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)ethyl]-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 119509228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).