N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide

C20H18FN3O2S — CID 55821493

IUPACN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1
InChIInChI=1S/C20H18FN3O2S/c1-2-18(25)23-16-5-3-4-14(11-16)19(26)24-20-22-12-17(27-20)10-13-6-8-15(21)9-7-13/h3-9,11-12H,2,10H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyYFCHOBVNMCUAKY-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.47
Rot. Bonds6

About N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide

N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide (PubChem CID 55821493) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide
PubChem CID55821493
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC NameN-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1
InChIInChI=1S/C20H18FN3O2S/c1-2-18(25)23-16-5-3-4-14(11-16)19(26)24-20-22-12-17(27-20)10-13-6-8-15(21)9-7-13/h3-9,11-12H,2,10H2,1H3,(H,23,25)(H,22,24,26)
InChIKeyYFCHOBVNMCUAKY-UHFFFAOYSA-N
XLogP4.47
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide?
The IUPAC name of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide (CID 55821493) is N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide.
What is the SMILES notation for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide?
The canonical SMILES for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)c1.
What is the InChIKey of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide?
The InChIKey is YFCHOBVNMCUAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c1-2-18(25)23-16-5-3-4-14(11-16)19(26)24-20-22-12-17(27-20)10-13-6-8-15(21)9-7-13/h3-9,11-12H,2,10H2,1H3,(H,23,25)(H,22,24,26).
What are the key properties of N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide?
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide has a molecular weight of 383.45 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide is sourced from PubChem (CID 55821493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).