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

C17H19ClFN3OS — CID 25120309

IUPACN-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide
SMILESCn1c(CC(=O)Nc2ccc(Cl)cc2F)cs/c1=N\C1CCCC1
InChIInChI=1S/C17H19ClFN3OS/c1-22-13(10-24-17(22)20-12-4-2-3-5-12)9-16(23)21-15-7-6-11(18)8-14(15)19/h6-8,10,12H,2-5,9H2,1H3,(H,21,23)/b20-17-
InChIKeyGGFZNGMWHCWTEV-JZJYNLBNSA-N
MW367.88 g/mol
LogP3.90
Rot. Bonds4

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

N-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide (PubChem CID 25120309) has the molecular formula C17H19ClFN3OS and a molecular weight of 367.88 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide
PubChem CID25120309
Molecular FormulaC17H19ClFN3OS
Molecular Weight367.88 g/mol
Exact Mass367.09
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide
SMILESCn1c(CC(=O)Nc2ccc(Cl)cc2F)cs/c1=N\C1CCCC1
InChIInChI=1S/C17H19ClFN3OS/c1-22-13(10-24-17(22)20-12-4-2-3-5-12)9-16(23)21-15-7-6-11(18)8-14(15)19/h6-8,10,12H,2-5,9H2,1H3,(H,21,23)/b20-17-
InChIKeyGGFZNGMWHCWTEV-JZJYNLBNSA-N
XLogP3.90
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 53.90
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

2-(2-cyclohexylimino-3-methyl-1,3-thiazol-4-yl)-N-(2,4-difluorophenyl)acetamide;hydrochloride
CID 25119605
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-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67349773
N-[(5-chloro-2-fluorophenyl)methyl]-2-(2-cyclohexylimino-3-cyclopropyl-1,3-thiazol-4-yl)acetamide;hydrochloride
CID 25122431
N-(4-chloro-2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 8583329
N-(5-chloro-2-fluorophenyl)-2-(2-cycloheptylimino-3-methyl-1,3-thiazolidin-4-yl)acetamide
CID 67347813
N-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)acetamide
CID 7961331
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-chlorophenyl)imino-3-methyl-1,3-thiazol-4-yl]acetamide
CID 11683989
N-(4-chloro-2-fluorophenyl)-2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]acetamide
CID 8777429
2-[2-(3-chloro-4-fluorophenyl)imino-3-methyl-1,3-thiazol-4-yl]-N-(4-nitrophenyl)acetamide;hydrochloride
CID 22347741
N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide (CID 25120309) is N-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide is Cn1c(CC(=O)Nc2ccc(Cl)cc2F)cs/c1=N\C1CCCC1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide?
The InChIKey is GGFZNGMWHCWTEV-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H19ClFN3OS/c1-22-13(10-24-17(22)20-12-4-2-3-5-12)9-16(23)21-15-7-6-11(18)8-14(15)19/h6-8,10,12H,2-5,9H2,1H3,(H,21,23)/b20-17-.
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide?
N-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide has a molecular weight of 367.88 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(2-cyclopentylimino-3-methyl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 25120309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).