4-fluoro-N-[4-methoxy-7-[2-(4-methyl-2H-pyridin-1-yl)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]benzamide

C24H19FN4O2S2 — CID 139975366

IUPAC4-fluoro-N-[4-methoxy-7-[2-(4-methyl-2H-pyridin-1-yl)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(N3C=CC(C)=CC3)n2)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C24H19FN4O2S2/c1-14-9-11-29(12-10-14)24-26-18(13-32-24)17-7-8-19(31-2)20-21(17)33-23(27-20)28-22(30)15-3-5-16(25)6-4-15/h3-11,13H,12H2,1-2H3,(H,27,28,30)
InChIKeyGMTSHAILLRCZOO-UHFFFAOYSA-N
MW478.57 g/mol
LogP6.10
Rot. Bonds5

About 4-fluoro-N-[4-methoxy-7-[2-(4-methyl-2H-pyridin-1-yl)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]benzamide

4-fluoro-N-[4-methoxy-7-[2-(4-methyl-2H-pyridin-1-yl)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]benzamide (PubChem CID 139975366) has the molecular formula C24H19FN4O2S2 and a molecular weight of 478.57 g/mol. Its IUPAC name is 4-fluoro-N-[4-methoxy-7-[2-(4-methyl-2H-pyridin-1-yl)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-methoxy-7-[2-(4-methyl-2H-pyridin-1-yl)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]benzamide
PubChem CID139975366
Molecular FormulaC24H19FN4O2S2
Molecular Weight478.57 g/mol
Exact Mass478.09
IUPAC Name4-fluoro-N-[4-methoxy-7-[2-(4-methyl-2H-pyridin-1-yl)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]benzamide
SMILESCOc1ccc(-c2csc(N3C=CC(C)=CC3)n2)c2sc(NC(=O)c3ccc(F)cc3)nc12
InChIInChI=1S/C24H19FN4O2S2/c1-14-9-11-29(12-10-14)24-26-18(13-32-24)17-7-8-19(31-2)20-21(17)33-23(27-20)28-22(30)15-3-5-16(25)6-4-15/h3-11,13H,12H2,1-2H3,(H,27,28,30)
InChIKeyGMTSHAILLRCZOO-UHFFFAOYSA-N
XLogP6.10
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.57
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-methoxy-7-(2-methyl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 87471769
4-[[2-methoxyethyl(methyl)amino]methyl]-N-[4-methoxy-7-(2-morpholin-4-yl-1,3-thiazol-4-yl)-1,3-benzothiazol-2-yl]benzamide
CID 22283209
N-(7-acetamido-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 22283414
N-(7-ethenyl-4-methoxy-1,3-benzothiazol-2-yl)-4-fluorobenzamide
CID 22283409
N-[7-(2-amino-1,3-thiazol-4-yl)-4-methoxy-1,3-benzothiazol-2-yl]-4-[[2-methoxyethyl(methyl)amino]methyl]benzamide
CID 22283321
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)-4-methoxybenzamide
CID 7172907
N-(4-methoxy-7-phenyl-1,3-benzothiazol-2-yl)-4-methylbenzamide
CID 22283126
methyl 4-[2-[(4-fluorobenzoyl)amino]-4-methoxy-1,3-benzothiazol-7-yl]piperidine-1-carboxylate
CID 86588849
4-fluoro-N-[4-methoxy-7-(oxan-2-yl)-1,3-benzothiazol-2-yl]benzamide
CID 10172774
N-[4-methoxy-7-[2-(6-methyl-3-pyridinyl)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 10119715
N-(4,7-dimethoxy-1,3-benzothiazol-2-yl)benzamide
CID 7192494
4-fluoro-N-[4-methoxy-7-[methyl(oxan-4-yl)amino]-1,3-benzothiazol-2-yl]benzamide
CID 10173219

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-methoxy-7-[2-(4-methyl-2H-pyridin-1-yl)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[4-methoxy-7-[2-(4-methyl-2H-pyridin-1-yl)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]benzamide (CID 139975366) is 4-fluoro-N-[4-methoxy-7-[2-(4-methyl-2H-pyridin-1-yl)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-methoxy-7-[2-(4-methyl-2H-pyridin-1-yl)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-methoxy-7-[2-(4-methyl-2H-pyridin-1-yl)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]benzamide is COc1ccc(-c2csc(N3C=CC(C)=CC3)n2)c2sc(NC(=O)c3ccc(F)cc3)nc12.
What is the InChIKey of 4-fluoro-N-[4-methoxy-7-[2-(4-methyl-2H-pyridin-1-yl)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]benzamide?
The InChIKey is GMTSHAILLRCZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN4O2S2/c1-14-9-11-29(12-10-14)24-26-18(13-32-24)17-7-8-19(31-2)20-21(17)33-23(27-20)28-22(30)15-3-5-16(25)6-4-15/h3-11,13H,12H2,1-2H3,(H,27,28,30).
What are the key properties of 4-fluoro-N-[4-methoxy-7-[2-(4-methyl-2H-pyridin-1-yl)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]benzamide?
4-fluoro-N-[4-methoxy-7-[2-(4-methyl-2H-pyridin-1-yl)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]benzamide has a molecular weight of 478.57 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-methoxy-7-[2-(4-methyl-2H-pyridin-1-yl)-1,3-thiazol-4-yl]-1,3-benzothiazol-2-yl]benzamide is sourced from PubChem (CID 139975366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).