4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide

C18H13BrF2N2O3S — CID 26704499

IUPAC4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc(OC)c1Br
InChIInChI=1S/C18H13BrF2N2O3S/c1-25-14-5-9(6-15(26-2)16(14)19)17(24)23-18-22-13(8-27-18)11-7-10(20)3-4-12(11)21/h3-8H,1-2H3,(H,22,23,24)
InChIKeyGALRMENOSDLECC-UHFFFAOYSA-N
MW455.28 g/mol
LogP5.12
Rot. Bonds5

About 4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide

4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide (PubChem CID 26704499) has the molecular formula C18H13BrF2N2O3S and a molecular weight of 455.28 g/mol. Its IUPAC name is 4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound Name4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
PubChem CID26704499
Molecular FormulaC18H13BrF2N2O3S
Molecular Weight455.28 g/mol
Exact Mass453.98
IUPAC Name4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc(OC)c1Br
InChIInChI=1S/C18H13BrF2N2O3S/c1-25-14-5-9(6-15(26-2)16(14)19)17(24)23-18-22-13(8-27-18)11-7-10(20)3-4-12(11)21/h3-8H,1-2H3,(H,22,23,24)
InChIKeyGALRMENOSDLECC-UHFFFAOYSA-N
XLogP5.12
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.28
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-5-fluoro-2-methoxybenzamide
CID 31116741
3-bromo-5-fluoro-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55722696
N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 3498985
4-bromo-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,5-dimethylfuran-3-carboxamide
CID 55722825
2-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 8839157
5-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 26207781
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-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8839170
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-(2-methylpropanoylamino)benzamide
CID 55722730
N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
CID 119046187
3-bromo-N-[4-(2,4-difluorophenyl)-1,3-thiazol-2-yl]benzamide
CID 1011238

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of 4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide (CID 26704499) is 4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for 4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for 4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide is COc1cc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)cc(OC)c1Br.
What is the InChIKey of 4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is GALRMENOSDLECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrF2N2O3S/c1-25-14-5-9(6-15(26-2)16(14)19)17(24)23-18-22-13(8-27-18)11-7-10(20)3-4-12(11)21/h3-8H,1-2H3,(H,22,23,24).
What are the key properties of 4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide?
4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 455.28 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 26704499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).