4-fluoro-N-[3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]benzamide

C19H18FN3OS — CID 51119406

IUPAC4-fluoro-N-[3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]benzamide
SMILESCc1nc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)cs1
InChIInChI=1S/C19H18FN3OS/c1-13-22-18(12-25-13)11-21-10-14-3-2-4-17(9-14)23-19(24)15-5-7-16(20)8-6-15/h2-9,12,21H,10-11H2,1H3,(H,23,24)
InChIKeyTZXXOOCTBAPLEX-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.13
Rot. Bonds6

About 4-fluoro-N-[3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]benzamide

4-fluoro-N-[3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]benzamide (PubChem CID 51119406) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-fluoro-N-[3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]benzamide
PubChem CID51119406
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name4-fluoro-N-[3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]benzamide
SMILESCc1nc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)cs1
InChIInChI=1S/C19H18FN3OS/c1-13-22-18(12-25-13)11-21-10-14-3-2-4-17(9-14)23-19(24)15-5-7-16(20)8-6-15/h2-9,12,21H,10-11H2,1H3,(H,23,24)
InChIKeyTZXXOOCTBAPLEX-UHFFFAOYSA-N
XLogP4.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]benzamide (CID 51119406) is 4-fluoro-N-[3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]benzamide is Cc1nc(CNCc2cccc(NC(=O)c3ccc(F)cc3)c2)cs1.
What is the InChIKey of 4-fluoro-N-[3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]benzamide?
The InChIKey is TZXXOOCTBAPLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-13-22-18(12-25-13)11-21-10-14-3-2-4-17(9-14)23-19(24)15-5-7-16(20)8-6-15/h2-9,12,21H,10-11H2,1H3,(H,23,24).
What are the key properties of 4-fluoro-N-[3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]benzamide?
4-fluoro-N-[3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]benzamide has a molecular weight of 355.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-[[(2-methyl-1,3-thiazol-4-yl)methylamino]methyl]phenyl]benzamide is sourced from PubChem (CID 51119406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).