2-bromo-N-[4-[3-chloro-5-fluoro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide

C15H15BrClFN2O2S — CID 87388301

IUPAC2-bromo-N-[4-[3-chloro-5-fluoro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)COc1c(F)cc(-c2csc(NC(=O)CBr)n2)cc1Cl
InChIInChI=1S/C15H15BrClFN2O2S/c1-8(2)6-22-14-10(17)3-9(4-11(14)18)12-7-23-15(19-12)20-13(21)5-16/h3-4,7-8H,5-6H2,1-2H3,(H,19,20,21)
InChIKeyCIEBUQDNARBLBC-UHFFFAOYSA-N
MW421.72 g/mol
LogP4.97
Rot. Bonds6

About 2-bromo-N-[4-[3-chloro-5-fluoro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide

2-bromo-N-[4-[3-chloro-5-fluoro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 87388301) has the molecular formula C15H15BrClFN2O2S and a molecular weight of 421.72 g/mol. Its IUPAC name is 2-bromo-N-[4-[3-chloro-5-fluoro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[4-[3-chloro-5-fluoro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide
PubChem CID87388301
Molecular FormulaC15H15BrClFN2O2S
Molecular Weight421.72 g/mol
Exact Mass419.97
IUPAC Name2-bromo-N-[4-[3-chloro-5-fluoro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(C)COc1c(F)cc(-c2csc(NC(=O)CBr)n2)cc1Cl
InChIInChI=1S/C15H15BrClFN2O2S/c1-8(2)6-22-14-10(17)3-9(4-11(14)18)12-7-23-15(19-12)20-13(21)5-16/h3-4,7-8H,5-6H2,1-2H3,(H,19,20,21)
InChIKeyCIEBUQDNARBLBC-UHFFFAOYSA-N
XLogP4.97
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.72
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[4-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 86662193
2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 63678715
N-[4-[3,5-difluoro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3,9-trimethyl-2,6,8-trioxopurin-7-yl)acetamide
CID 87388778
4-[3,5-dichloro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-amine
CID 57461655
N-[4-[3-chloro-5-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-1,3-thiazol-2-yl]-2-(1,3-dimethyl-2,4-dioxopyrrolo[3,2-d]pyrimidin-5-yl)acetamide
CID 86662202
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
2-amino-N-[4-[4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 39177422
2-(4-chlorophenoxy)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 54858677
2-bromo-N-[4-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-yl]acetamide
CID 87665224
2-(4-chloro-2-methylphenoxy)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4643294
N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]butanamide
CID 3681052
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46668396

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-[3-chloro-5-fluoro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-bromo-N-[4-[3-chloro-5-fluoro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide (CID 87388301) is 2-bromo-N-[4-[3-chloro-5-fluoro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-bromo-N-[4-[3-chloro-5-fluoro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-bromo-N-[4-[3-chloro-5-fluoro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide is CC(C)COc1c(F)cc(-c2csc(NC(=O)CBr)n2)cc1Cl.
What is the InChIKey of 2-bromo-N-[4-[3-chloro-5-fluoro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is CIEBUQDNARBLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClFN2O2S/c1-8(2)6-22-14-10(17)3-9(4-11(14)18)12-7-23-15(19-12)20-13(21)5-16/h3-4,7-8H,5-6H2,1-2H3,(H,19,20,21).
What are the key properties of 2-bromo-N-[4-[3-chloro-5-fluoro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide?
2-bromo-N-[4-[3-chloro-5-fluoro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 421.72 g/mol, XLogP of 4.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-[3-chloro-5-fluoro-4-(2-methylpropoxy)phenyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87388301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).