2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride

C18H22ClF2N3OS — CID 25119605

IUPAC2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride
SMILESCl.Cn1c(CC(=O)Nc2ccc(F)cc2F)cs/c1=N\C1CCCCC1
InChIInChI=1S/C18H21F2N3OS.ClH/c1-23-14(11-25-18(23)21-13-5-3-2-4-6-13)10-17(24)22-16-8-7-12(19)9-15(16)20;/h7-9,11,13H,2-6,10H2,1H3,(H,22,24);1H/b21-18-;
InChIKeyKMGKRHKLKUGFKX-WIPIHYDQSA-N
MW401.91 g/mol
LogP4.20
Rot. Bonds4

About 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride

2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride (PubChem CID 25119605) has the molecular formula C18H22ClF2N3OS and a molecular weight of 401.91 g/mol. Its IUPAC name is 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride
PubChem CID25119605
Molecular FormulaC18H22ClF2N3OS
Molecular Weight401.91 g/mol
Exact Mass401.11
IUPAC Name2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride
SMILESCl.Cn1c(CC(=O)Nc2ccc(F)cc2F)cs/c1=N\C1CCCCC1
InChIInChI=1S/C18H21F2N3OS.ClH/c1-23-14(11-25-18(23)21-13-5-3-2-4-6-13)10-17(24)22-16-8-7-12(19)9-15(16)20;/h7-9,11,13H,2-6,10H2,1H3,(H,22,24);1H/b21-18-;
InChIKeyKMGKRHKLKUGFKX-WIPIHYDQSA-N
XLogP4.20
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.91
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide
CID 25120309
2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)-N-(2-fluoro-5-nitrophenyl)acetamide;hydrochloride
CID 25120306
2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 25119955
N-[(4-chlorophenyl)methyl]-2-(2-cycloheptylimino-3-methyl-1,3-thiazol-4-yl)acetamide;hydrochloride
CID 25122057
N-(2-chloro-4-fluorophenyl)-2-[2-(2-fluoro-4-methylphenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide;hydrochloride
CID 11683715
cyclooctyl-[2-(2,4-difluoroanilino)-2-oxoethyl]azanium
CID 9265335
2-(cyclooctylamino)-N-(2,4-difluorophenyl)acetamide
CID 9265336
N-(2,4-difluorophenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 22197954
N-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67349773
N-(2,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824448
N-(2,4-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681830
N-(2,4-difluorophenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681833

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride?
The IUPAC name of 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride (CID 25119605) is 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride is Cl.Cn1c(CC(=O)Nc2ccc(F)cc2F)cs/c1=N\C1CCCCC1.
What is the InChIKey of 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride?
The InChIKey is KMGKRHKLKUGFKX-WIPIHYDQSA-N. The full InChI is InChI=1S/C18H21F2N3OS.ClH/c1-23-14(11-25-18(23)21-13-5-3-2-4-6-13)10-17(24)22-16-8-7-12(19)9-15(16)20;/h7-9,11,13H,2-6,10H2,1H3,(H,22,24);1H/b21-18-;.
What are the key properties of 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride?
2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride has a molecular weight of 401.91 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride is sourced from PubChem (CID 25119605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).