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

C17H23N3OS2 — CID 72859862

IUPAC2-(dimethylamino)-2-(2-methylphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
SMILESCSCc1nc(CNC(=O)C(c2ccccc2C)N(C)C)cs1
InChIInChI=1S/C17H23N3OS2/c1-12-7-5-6-8-14(12)16(20(2)3)17(21)18-9-13-10-23-15(19-13)11-22-4/h5-8,10,16H,9,11H2,1-4H3,(H,18,21)
InChIKeyVRWIKFSFTVADKD-UHFFFAOYSA-N
MW349.53 g/mol
LogP3.23
Rot. Bonds7

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

2-(dimethylamino)-2-(2-methylphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide (PubChem CID 72859862) has the molecular formula C17H23N3OS2 and a molecular weight of 349.53 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-methylphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-methylphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
PubChem CID72859862
Molecular FormulaC17H23N3OS2
Molecular Weight349.53 g/mol
Exact Mass349.13
IUPAC Name2-(dimethylamino)-2-(2-methylphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
SMILESCSCc1nc(CNC(=O)C(c2ccccc2C)N(C)C)cs1
InChIInChI=1S/C17H23N3OS2/c1-12-7-5-6-8-14(12)16(20(2)3)17(21)18-9-13-10-23-15(19-13)11-22-4/h5-8,10,16H,9,11H2,1-4H3,(H,18,21)
InChIKeyVRWIKFSFTVADKD-UHFFFAOYSA-N
XLogP3.23
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.53
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dimethylamino)-2-(2-methylphenyl)-N-(3-methylsulfanylpropyl)acetamide
CID 72846104
2-(dimethylamino)-N-[(5-ethyl-2-pyridinyl)methyl]-2-(2-methylphenyl)acetamide
CID 72917770
5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]thiophene-2-carboxylic acid
CID 72854905
2-(dimethylamino)-2-(2-methylphenyl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 72938798
1-(6-methyl-1,3-benzodioxol-5-yl)-3-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]urea
CID 72931092
N-[[4-[(2-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]acetamide
CID 70330114
5-[[[2-(dimethylamino)-2-(2-methylphenyl)acetyl]amino]methyl]-N-methylfuran-2-carboxamide
CID 72932314
(2R)-N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-2-(dimethylamino)-2-(2-methylphenyl)acetamide
CID 97209515
3-(2-methyl-6-oxo-1-pyridinyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 74235486
2-(dimethylamino)-2-(2-methylphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
CID 72841553
2-methyl-N-[[2-(2-methylphenyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108737460
(2S)-2-amino-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenylacetamide
CID 104897686

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-methylphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-2-(2-methylphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide (CID 72859862) is 2-(dimethylamino)-2-(2-methylphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(2-methylphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(2-methylphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide is CSCc1nc(CNC(=O)C(c2ccccc2C)N(C)C)cs1.
What is the InChIKey of 2-(dimethylamino)-2-(2-methylphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide?
The InChIKey is VRWIKFSFTVADKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS2/c1-12-7-5-6-8-14(12)16(20(2)3)17(21)18-9-13-10-23-15(19-13)11-22-4/h5-8,10,16H,9,11H2,1-4H3,(H,18,21).
What are the key properties of 2-(dimethylamino)-2-(2-methylphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide?
2-(dimethylamino)-2-(2-methylphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide has a molecular weight of 349.53 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-methylphenyl)-N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]acetamide is sourced from PubChem (CID 72859862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).