N-[3-(diethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

C24H28FN3O2S — CID 3170749

IUPACN-[3-(diethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCN(CC)CCCN(C(=O)c1ccc(F)cc1)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C24H28FN3O2S/c1-4-27(5-2)15-6-16-28(23(29)19-7-11-20(25)12-8-19)24-26-22(17-31-24)18-9-13-21(30-3)14-10-18/h7-14,17H,4-6,15-16H2,1-3H3
InChIKeyLYIBOGKIVCZEPH-UHFFFAOYSA-N
MW441.57 g/mol
LogP5.34
Rot. Bonds10

About N-[3-(diethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

N-[3-(diethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 3170749) has the molecular formula C24H28FN3O2S and a molecular weight of 441.57 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID3170749
Molecular FormulaC24H28FN3O2S
Molecular Weight441.57 g/mol
Exact Mass441.19
IUPAC NameN-[3-(diethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCCN(CC)CCCN(C(=O)c1ccc(F)cc1)c1nc(-c2ccc(OC)cc2)cs1
InChIInChI=1S/C24H28FN3O2S/c1-4-27(5-2)15-6-16-28(23(29)19-7-11-20(25)12-8-19)24-26-22(17-31-24)18-9-13-21(30-3)14-10-18/h7-14,17H,4-6,15-16H2,1-3H3
InChIKeyLYIBOGKIVCZEPH-UHFFFAOYSA-N
XLogP5.34
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.57
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-[3-(diethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 3170749) is N-[3-(diethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is CCN(CC)CCCN(C(=O)c1ccc(F)cc1)c1nc(-c2ccc(OC)cc2)cs1.
What is the InChIKey of N-[3-(diethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is LYIBOGKIVCZEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2S/c1-4-27(5-2)15-6-16-28(23(29)19-7-11-20(25)12-8-19)24-26-22(17-31-24)18-9-13-21(30-3)14-10-18/h7-14,17H,4-6,15-16H2,1-3H3.
What are the key properties of N-[3-(diethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
N-[3-(diethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 441.57 g/mol, XLogP of 5.34, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 3170749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).