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

C16H21N3OS — CID 72874920

IUPAC2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1cccc(C(C(=O)NCCc2cscn2)N(C)C)c1
InChIInChI=1S/C16H21N3OS/c1-12-5-4-6-13(9-12)15(19(2)3)16(20)17-8-7-14-10-21-11-18-14/h4-6,9-11,15H,7-8H2,1-3H3,(H,17,20)
InChIKeyKICGFRMXJIHHHD-UHFFFAOYSA-N
MW303.43 g/mol
LogP2.41
Rot. Bonds6

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

2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (PubChem CID 72874920) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
PubChem CID72874920
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
SMILESCc1cccc(C(C(=O)NCCc2cscn2)N(C)C)c1
InChIInChI=1S/C16H21N3OS/c1-12-5-4-6-13(9-12)15(19(2)3)16(20)17-8-7-14-10-21-11-18-14/h4-6,9-11,15H,7-8H2,1-3H3,(H,17,20)
InChIKeyKICGFRMXJIHHHD-UHFFFAOYSA-N
XLogP2.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(3-methylthiophen-2-yl)ethyl]acetamide
CID 95119560
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
CID 50973098
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide
CID 97193939
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 72858955
(2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 95130797
1-[3-(1-hydroxyethyl)phenyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 63824187
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]acetamide
CID 97186982
N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide
CID 97150151
(2R)-2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 97117026
(2R)-2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]acetamide
CID 136822789
6-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridine-2-carboxamide
CID 110472168

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide (CID 72874920) is 2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is Cc1cccc(C(C(=O)NCCc2cscn2)N(C)C)c1.
What is the InChIKey of 2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
The InChIKey is KICGFRMXJIHHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-12-5-4-6-13(9-12)15(19(2)3)16(20)17-8-7-14-10-21-11-18-14/h4-6,9-11,15H,7-8H2,1-3H3,(H,17,20).
What are the key properties of 2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide?
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide has a molecular weight of 303.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(3-methylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 72874920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).