2-(4-bromo-2-fluorophenyl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide

C15H14BrFN2OS — CID 87519208

IUPAC2-(4-bromo-2-fluorophenyl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(Br)cc1F)Nc1ncc(C2CCC2)s1
InChIInChI=1S/C15H14BrFN2OS/c16-11-5-4-10(12(17)7-11)6-14(20)19-15-18-8-13(21-15)9-2-1-3-9/h4-5,7-9H,1-3,6H2,(H,18,19,20)
InChIKeyDXLHCXRVXTVPPU-UHFFFAOYSA-N
MW369.26 g/mol
LogP4.49
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide

2-(4-bromo-2-fluorophenyl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide (PubChem CID 87519208) has the molecular formula C15H14BrFN2OS and a molecular weight of 369.26 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide
PubChem CID87519208
Molecular FormulaC15H14BrFN2OS
Molecular Weight369.26 g/mol
Exact Mass368.00
IUPAC Name2-(4-bromo-2-fluorophenyl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(Br)cc1F)Nc1ncc(C2CCC2)s1
InChIInChI=1S/C15H14BrFN2OS/c16-11-5-4-10(12(17)7-11)6-14(20)19-15-18-8-13(21-15)9-2-1-3-9/h4-5,7-9H,1-3,6H2,(H,18,19,20)
InChIKeyDXLHCXRVXTVPPU-UHFFFAOYSA-N
XLogP4.49
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyclohexyl-1,3-thiazol-2-yl)-2-pyridin-3-ylacetamide
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2-(4-bromo-2-fluorophenyl)-N-methylacetamide
CID 71270704
2-[2-fluoro-4-(7-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]-N-[5-(oxan-4-yl)-1,3-thiazol-2-yl]acetamide
CID 87518831
N-[5-[(2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-2-ylacetamide
CID 119751025
N-[(4-bromo-2-fluorophenyl)methyl]-1-cyclopropylmethanamine
CID 43364189
N-[4-[3-[2-[(5-cyclopropyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]phenyl]-2-fluorophenyl]prop-2-enamide
CID 146531681
1-(1,3-benzothiazol-5-yl)-3-(5-cyclobutyl-1,3-thiazol-2-yl)urea
CID 22731379
3-(4-bromo-2-fluorophenyl)-1-cyclohexyl-1-hydroxypropan-2-one
CID 103457440
N-[(4-bromo-2-fluorophenyl)methyl]-2-[(2R)-oxolan-2-yl]acetamide
CID 95620382
N-[5-[(4-bromo-2-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 42805790
N-(4-bromo-2-fluorophenyl)-2-cycloheptylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide (CID 87519208) is 2-(4-bromo-2-fluorophenyl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide is O=C(Cc1ccc(Br)cc1F)Nc1ncc(C2CCC2)s1.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is DXLHCXRVXTVPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2OS/c16-11-5-4-10(12(17)7-11)6-14(20)19-15-18-8-13(21-15)9-2-1-3-9/h4-5,7-9H,1-3,6H2,(H,18,19,20).
What are the key properties of 2-(4-bromo-2-fluorophenyl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide?
2-(4-bromo-2-fluorophenyl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 369.26 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-N-(5-cyclobutyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 87519208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).