(2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide

C17H22FN3OS — CID 95121897

IUPAC(2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide
SMILESCCc1nc(C)sc1CNC(=O)[C@H](c1ccccc1F)N(C)C
InChIInChI=1S/C17H22FN3OS/c1-5-14-15(23-11(2)20-14)10-19-17(22)16(21(3)4)12-8-6-7-9-13(12)18/h6-9,16H,5,10H2,1-4H3,(H,19,22)/t16-/m0/s1
InChIKeyDERZNBJTNIRUHS-INIZCTEOSA-N
MW335.45 g/mol
LogP3.07
Rot. Bonds6

About (2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide

(2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide (PubChem CID 95121897) has the molecular formula C17H22FN3OS and a molecular weight of 335.45 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide
PubChem CID95121897
Molecular FormulaC17H22FN3OS
Molecular Weight335.45 g/mol
Exact Mass335.15
IUPAC Name(2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide
SMILESCCc1nc(C)sc1CNC(=O)[C@H](c1ccccc1F)N(C)C
InChIInChI=1S/C17H22FN3OS/c1-5-14-15(23-11(2)20-14)10-19-17(22)16(21(3)4)12-8-6-7-9-13(12)18/h6-9,16H,5,10H2,1-4H3,(H,19,22)/t16-/m0/s1
InChIKeyDERZNBJTNIRUHS-INIZCTEOSA-N
XLogP3.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(2-fluorophenyl)acetamide
CID 72938087
2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-hydroxypropyl)acetamide
CID 72891697
2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 91772485
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(3-methylsulfanylpropyl)acetamide
CID 97203656
(2S)-N-[(4-cyanophenyl)methyl]-2-(dimethylamino)-2-(2-fluorophenyl)acetamide
CID 97129161
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(N-methylanilino)ethyl]acetamide
CID 97110517
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 97187682
(2S)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 97155807
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-(2-methylbutan-2-yl)acetamide
CID 97155806
(2S)-2-(dimethylamino)-N-[2-[4-(dimethylamino)phenyl]ethyl]-2-(2-fluorophenyl)acetamide
CID 97139155
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[(2-imidazol-1-ylphenyl)methyl]acetamide
CID 97186840
(2R)-2-(dimethylamino)-2-(2-fluorophenyl)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]acetamide
CID 97186769

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide (CID 95121897) is (2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide is CCc1nc(C)sc1CNC(=O)[C@H](c1ccccc1F)N(C)C.
What is the InChIKey of (2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide?
The InChIKey is DERZNBJTNIRUHS-INIZCTEOSA-N. The full InChI is InChI=1S/C17H22FN3OS/c1-5-14-15(23-11(2)20-14)10-19-17(22)16(21(3)4)12-8-6-7-9-13(12)18/h6-9,16H,5,10H2,1-4H3,(H,19,22)/t16-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide?
(2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide has a molecular weight of 335.45 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 95121897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).