3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide

C17H11FN2OS2 — CID 3290409

IUPAC3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(s1)CSc1ccccc1-2)c1cccc(F)c1
InChIInChI=1S/C17H11FN2OS2/c18-11-5-3-4-10(8-11)16(21)20-17-19-15-12-6-1-2-7-13(12)22-9-14(15)23-17/h1-8H,9H2,(H,19,20,21)
InChIKeyRMRXCKGGGYWOQV-UHFFFAOYSA-N
MW342.42 g/mol
LogP4.81
Rot. Bonds2

About 3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide

3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide (PubChem CID 3290409) has the molecular formula C17H11FN2OS2 and a molecular weight of 342.42 g/mol. Its IUPAC name is 3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
PubChem CID3290409
Molecular FormulaC17H11FN2OS2
Molecular Weight342.42 g/mol
Exact Mass342.03
IUPAC Name3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
SMILESO=C(Nc1nc2c(s1)CSc1ccccc1-2)c1cccc(F)c1
InChIInChI=1S/C17H11FN2OS2/c18-11-5-3-4-10(8-11)16(21)20-17-19-15-12-6-1-2-7-13(12)22-9-14(15)23-17/h1-8H,9H2,(H,19,20,21)
InChIKeyRMRXCKGGGYWOQV-UHFFFAOYSA-N
XLogP4.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4H-chromeno[4,3-d][1,3]thiazol-2-yl)-3-fluorobenzamide
CID 4533660
N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-4-[4-(4H-thiochromeno[4,3-d][1,3]thiazol-2-ylcarbamoyl)phenoxy]benzamide
CID 5154304
3,5-dimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 5060191
3,4,5-trimethoxy-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4279938
N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)-1,2-oxazole-5-carboxamide
CID 18587269
4-(diethylsulfamoyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 4294898
4-(azepan-1-ylsulfonyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 3602415
4-[methyl(phenyl)sulfamoyl]-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide
CID 3346908
N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-3-fluorobenzamide
CID 8918479
2-(2,4-dimethylphenyl)-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)acetamide
CID 8670561
N-[4,5-bis(4-methylphenyl)-1,3-thiazol-2-yl]-3-fluorobenzamide
CID 3914238
N-(4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-3-methylsulfanylbenzamide
CID 7565109

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The IUPAC name of 3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide (CID 3290409) is 3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide is O=C(Nc1nc2c(s1)CSc1ccccc1-2)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
The InChIKey is RMRXCKGGGYWOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2OS2/c18-11-5-3-4-10(8-11)16(21)20-17-19-15-12-6-1-2-7-13(12)22-9-14(15)23-17/h1-8H,9H2,(H,19,20,21).
What are the key properties of 3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide?
3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide has a molecular weight of 342.42 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4H-thiochromeno[4,3-d][1,3]thiazol-2-yl)benzamide is sourced from PubChem (CID 3290409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).