2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide

C15H17ClFN3OS — CID 71874575

IUPAC2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(N(C)C(=O)C(c2c(F)cccc2Cl)N(C)C)n1
InChIInChI=1S/C15H17ClFN3OS/c1-9-8-22-15(18-9)20(4)14(21)13(19(2)3)12-10(16)6-5-7-11(12)17/h5-8,13H,1-4H3
InChIKeyOSMGFPCHZQYVSV-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.51
Rot. Bonds4

About 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide

2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 71874575) has the molecular formula C15H17ClFN3OS and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID71874575
Molecular FormulaC15H17ClFN3OS
Molecular Weight341.84 g/mol
Exact Mass341.08
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1csc(N(C)C(=O)C(c2c(F)cccc2Cl)N(C)C)n1
InChIInChI=1S/C15H17ClFN3OS/c1-9-8-22-15(18-9)20(4)14(21)13(19(2)3)12-10(16)6-5-7-11(12)17/h5-8,13H,1-4H3
InChIKeyOSMGFPCHZQYVSV-UHFFFAOYSA-N
XLogP3.51
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 110723547
(2S)-2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-(3-methyl-2-pyridinyl)acetamide
CID 96508184
2,4-bis(2-chloro-6-fluorophenyl)pentan-3-one
CID 151106233
N-[(2-chloro-6-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 61331379
N-[(2-chloro-6-fluorophenyl)-(4-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62542277
3-methoxy-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 110723491
4-[[2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)acetyl]amino]-N,N-diethylbenzamide
CID 71874582
2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-[[2-(methoxymethyl)phenyl]methyl]acetamide
CID 71874577
methyl 2-(2-chloro-6-fluorophenyl)-2-[methyl-[3-(methylamino)-3-oxopropyl]amino]acetate
CID 86788219
3-benzyl-1-methyl-1-(4-methyl-1,3-thiazol-2-yl)urea
CID 110748217
N-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 110723514
2-[3,5-dichloro-4-[methyl-(4-methyl-1,3-thiazol-2-yl)amino]phenyl]propanoic acid
CID 12785147

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide (CID 71874575) is 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is Cc1csc(N(C)C(=O)C(c2c(F)cccc2Cl)N(C)C)n1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is OSMGFPCHZQYVSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3OS/c1-9-8-22-15(18-9)20(4)14(21)13(19(2)3)12-10(16)6-5-7-11(12)17/h5-8,13H,1-4H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide?
2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 341.84 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-(dimethylamino)-N-methyl-N-(4-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 71874575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).