N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide

C15H11ClFN5OS — CID 169078522

IUPACN-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(N)sc2-c2ccnc(Cl)n2)c1F
InChIInChI=1S/C15H11ClFN5OS/c1-7(23)20-9-4-2-3-8(11(9)17)12-13(24-15(18)22-12)10-5-6-19-14(16)21-10/h2-6H,1H3,(H2,18,22)(H,20,23)
InChIKeyHUUNICMWFWXMGU-UHFFFAOYSA-N
MW363.81 g/mol
LogP3.60
Rot. Bonds3

About N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide

N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide (PubChem CID 169078522) has the molecular formula C15H11ClFN5OS and a molecular weight of 363.81 g/mol. Its IUPAC name is N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide
PubChem CID169078522
Molecular FormulaC15H11ClFN5OS
Molecular Weight363.81 g/mol
Exact Mass363.04
IUPAC NameN-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2nc(N)sc2-c2ccnc(Cl)n2)c1F
InChIInChI=1S/C15H11ClFN5OS/c1-7(23)20-9-4-2-3-8(11(9)17)12-13(24-15(18)22-12)10-5-6-19-14(16)21-10/h2-6H,1H3,(H2,18,22)(H,20,23)
InChIKeyHUUNICMWFWXMGU-UHFFFAOYSA-N
XLogP3.60
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[2-bromo-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide
CID 172570310
N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide
CID 58236717
3-[2-tert-butyl-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluoro-N-propylsulfanylaniline
CID 172569923
3-[2-tert-butyl-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-N-(2,6-difluorophenyl)sulfanyl-2-fluoroaniline
CID 126676365
tert-butyl-[2-[5-(2-chloropyrimidin-4-yl)-4-[2-fluoro-3-(furan-3-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]propan-2-yl]carbamic acid
CID 87351666
N-[3-[5-(2-chloropyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluoro-4-methoxybenzenesulfonamide
CID 154954627
N-[3-[5-(2-chloropyrimidin-4-yl)-2-(1,4-dimethylpiperidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]propane-1-sulfonamide
CID 88945531
N-[3-[5-(2-chloropyrimidin-4-yl)-2-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
CID 169078383
N-[3-[5-(2-chloropyrimidin-4-yl)-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;N-[3-[5-[2-(dimethylamino)pyrimidin-4-yl]-2-phenyl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide;methane;N-methylmethanamine;hydrochloride
CID 163422198
N-[3-[2-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(1,1-dioxothian-4-yl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide
CID 170243142
4-[4-[2-fluoro-3-(methylsulfanylamino)phenyl]-2-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 154954780
N-[3-[2-(1-bicyclo[1.1.1]pentanyl)-5-[2-[(2,2-dioxo-2λ6-thiaspiro[3.3]heptan-6-yl)amino]pyrimidin-4-yl]-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide
CID 169078568

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide?
The IUPAC name of N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide (CID 169078522) is N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide is CC(=O)Nc1cccc(-c2nc(N)sc2-c2ccnc(Cl)n2)c1F.
What is the InChIKey of N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide?
The InChIKey is HUUNICMWFWXMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN5OS/c1-7(23)20-9-4-2-3-8(11(9)17)12-13(24-15(18)22-12)10-5-6-19-14(16)21-10/h2-6H,1H3,(H2,18,22)(H,20,23).
What are the key properties of N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide?
N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide has a molecular weight of 363.81 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-amino-5-(2-chloropyrimidin-4-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]acetamide is sourced from PubChem (CID 169078522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).