3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide

C16H9BrF2N2OS — CID 1011238

IUPAC3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1cccc(Br)c1
InChIInChI=1S/C16H9BrF2N2OS/c17-10-3-1-2-9(6-10)15(22)21-16-20-14(8-23-16)12-5-4-11(18)7-13(12)19/h1-8H,(H,20,21,22)
InChIKeyCOZJACKBELACJX-UHFFFAOYSA-N
MW395.23 g/mol
LogP5.10
Rot. Bonds3

About 3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide

3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 1011238) has the molecular formula C16H9BrF2N2OS and a molecular weight of 395.23 g/mol. Its IUPAC name is 3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID1011238
Molecular FormulaC16H9BrF2N2OS
Molecular Weight395.23 g/mol
Exact Mass393.96
IUPAC Name3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
SMILESO=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1cccc(Br)c1
InChIInChI=1S/C16H9BrF2N2OS/c17-10-3-1-2-9(6-10)15(22)21-16-20-14(8-23-16)12-5-4-11(18)7-13(12)19/h1-8H,(H,20,21,22)
InChIKeyCOZJACKBELACJX-UHFFFAOYSA-N
XLogP5.10
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.23
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
CID 4116905
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-fluorobenzamide
CID 3524198
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 3498985
N-[4-(3-bromophenyl)-1,3-thiazol-2-yl]-2,4-difluorobenzamide
CID 112760887
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 1222040
3-[[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]amino]benzoic acid;hydrochloride
CID 18774577
3-cyano-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 4801011
3-bromo-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3657057
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 4202014
2-chloro-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]pyridine-3-carboxamide
CID 4135604
4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
CID 26704499
1-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-3-propan-2-ylurea
CID 156560492

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide (CID 1011238) is 3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide is O=C(Nc1nc(-c2ccc(F)cc2F)cs1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is COZJACKBELACJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF2N2OS/c17-10-3-1-2-9(6-10)15(22)21-16-20-14(8-23-16)12-5-4-11(18)7-13(12)19/h1-8H,(H,20,21,22).
What are the key properties of 3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide?
3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 395.23 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1011238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).