2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide

C17H21N3O2S — CID 122562540

IUPAC2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1ncc(C(=O)NCC(c2cccc(C)c2)N(C)C)s1
InChIInChI=1S/C17H21N3O2S/c1-11-6-5-7-13(8-11)14(20(3)4)9-18-16(22)15-10-19-17(23-15)12(2)21/h5-8,10,14H,9H2,1-4H3,(H,18,22)
InChIKeyUNQUBCJVIBPOOD-UHFFFAOYSA-N
MW331.44 g/mol
LogP2.69
Rot. Bonds6

About 2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide

2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 122562540) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
PubChem CID122562540
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)c1ncc(C(=O)NCC(c2cccc(C)c2)N(C)C)s1
InChIInChI=1S/C17H21N3O2S/c1-11-6-5-7-13(8-11)14(20(3)4)9-18-16(22)15-10-19-17(23-15)12(2)21/h5-8,10,14H,9H2,1-4H3,(H,18,22)
InChIKeyUNQUBCJVIBPOOD-UHFFFAOYSA-N
XLogP2.69
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191423
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]pyridine-3-carboxamide
CID 95191422
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-1H-imidazole-4-carboxamide
CID 95563254
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-5-methyl-2H-triazole-4-carboxamide
CID 125436397
3-amino-N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 125442259
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
CID 95463957
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-methylbenzamide
CID 2421982
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-(3-methylphenyl)acetamide
CID 41453338
5-chloro-N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 125446087
N-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-4-[3-(methylamino)pyrazin-2-yl]benzamide
CID 125443881
N-[(2S)-2-(dimethylamino)-2-(3-methylphenyl)ethyl]-2-methoxy-2-methylpropanamide
CID 125439248
5-bromo-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 51150957

Frequently Asked Questions

What is the IUPAC name of 2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide (CID 122562540) is 2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide is CC(=O)c1ncc(C(=O)NCC(c2cccc(C)c2)N(C)C)s1.
What is the InChIKey of 2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is UNQUBCJVIBPOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-11-6-5-7-13(8-11)14(20(3)4)9-18-16(22)15-10-19-17(23-15)12(2)21/h5-8,10,14H,9H2,1-4H3,(H,18,22).
What are the key properties of 2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide?
2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetyl-N-[2-(dimethylamino)-2-(3-methylphenyl)ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122562540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).