2-chloro-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-fluoroacetamide

C8H10ClFN2OS — CID 166428005

IUPAC2-chloro-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-fluoroacetamide
SMILESCc1nc(CNC(=O)C(F)Cl)c(C)s1
InChIInChI=1S/C8H10ClFN2OS/c1-4-6(12-5(2)14-4)3-11-8(13)7(9)10/h7H,3H2,1-2H3,(H,11,13)
InChIKeyRQAZYAPRIJMZJZ-UHFFFAOYSA-N
MW236.70 g/mol
LogP1.91
Rot. Bonds3

About 2-chloro-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-fluoroacetamide

2-chloro-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-fluoroacetamide (PubChem CID 166428005) has the molecular formula C8H10ClFN2OS and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-chloro-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-fluoroacetamide.

Molecular Properties

Compound Name2-chloro-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-fluoroacetamide
PubChem CID166428005
Molecular FormulaC8H10ClFN2OS
Molecular Weight236.70 g/mol
Exact Mass236.02
IUPAC Name2-chloro-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-fluoroacetamide
SMILESCc1nc(CNC(=O)C(F)Cl)c(C)s1
InChIInChI=1S/C8H10ClFN2OS/c1-4-6(12-5(2)14-4)3-11-8(13)7(9)10/h7H,3H2,1-2H3,(H,11,13)
InChIKeyRQAZYAPRIJMZJZ-UHFFFAOYSA-N
XLogP1.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpropan-1-amine
CID 115877032
N-[[2-(acetamidomethyl)-1,3-thiazol-4-yl]methyl]-2-chloro-2-fluoroacetamide
CID 167885837
methyl 4-chloro-2-[(2,5-dimethyl-1,3-thiazol-4-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 133406034
ethyl (2S,3Z)-3-[(2,5-dimethyl-1,3-thiazol-4-yl)methylhydrazinylidene]-2-methylpropanoate
CID 172950866
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylbutan-1-amine
CID 115888092
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-methylpentan-3-amine
CID 115896787
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 58810350
2-amino-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]propanamide
CID 83624959
2,2-difluoro-N-[(5-methyl-1,3-oxazol-4-yl)methyl]acetamide
CID 130978196
2,5-dimethyl-N-(2-methylpropyl)-1,3-thiazole-4-carboxamide
CID 110465467
N-[2-(diethylamino)ethyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 91484769
3-(2,5-dimethyl-1,3-thiazol-4-yl)propan-1-ol
CID 58018030

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-fluoroacetamide?
The IUPAC name of 2-chloro-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-fluoroacetamide (CID 166428005) is 2-chloro-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-fluoroacetamide.
What is the SMILES notation for 2-chloro-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-fluoroacetamide?
The canonical SMILES for 2-chloro-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-fluoroacetamide is Cc1nc(CNC(=O)C(F)Cl)c(C)s1.
What is the InChIKey of 2-chloro-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-fluoroacetamide?
The InChIKey is RQAZYAPRIJMZJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2OS/c1-4-6(12-5(2)14-4)3-11-8(13)7(9)10/h7H,3H2,1-2H3,(H,11,13).
What are the key properties of 2-chloro-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-fluoroacetamide?
2-chloro-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-fluoroacetamide has a molecular weight of 236.70 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-2-fluoroacetamide is sourced from PubChem (CID 166428005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).