1-ethyl-3-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea

C24H23FN6O2S — CID 44600383

IUPAC1-ethyl-3-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(F)c(-c3ccc(N4CCOCC4)nc3)cc(-c3ccccn3)c2s1
InChIInChI=1S/C24H23FN6O2S/c1-2-26-23(32)30-24-29-21-20(25)16(13-17(22(21)34-24)18-5-3-4-8-27-18)15-6-7-19(28-14-15)31-9-11-33-12-10-31/h3-8,13-14H,2,9-12H2,1H3,(H2,26,29,30,32)
InChIKeyZQIIBGPMSBQESN-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.54
Rot. Bonds5

About 1-ethyl-3-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea

1-ethyl-3-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea (PubChem CID 44600383) has the molecular formula C24H23FN6O2S and a molecular weight of 478.55 g/mol. Its IUPAC name is 1-ethyl-3-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea
PubChem CID44600383
Molecular FormulaC24H23FN6O2S
Molecular Weight478.55 g/mol
Exact Mass478.16
IUPAC Name1-ethyl-3-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea
SMILESCCNC(=O)Nc1nc2c(F)c(-c3ccc(N4CCOCC4)nc3)cc(-c3ccccn3)c2s1
InChIInChI=1S/C24H23FN6O2S/c1-2-26-23(32)30-24-29-21-20(25)16(13-17(22(21)34-24)18-5-3-4-8-27-18)15-6-7-19(28-14-15)31-9-11-33-12-10-31/h3-8,13-14H,2,9-12H2,1H3,(H2,26,29,30,32)
InChIKeyZQIIBGPMSBQESN-UHFFFAOYSA-N
XLogP4.54
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-ethyl-3-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea (CID 44600383) is 1-ethyl-3-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea is CCNC(=O)Nc1nc2c(F)c(-c3ccc(N4CCOCC4)nc3)cc(-c3ccccn3)c2s1.
What is the InChIKey of 1-ethyl-3-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea?
The InChIKey is ZQIIBGPMSBQESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2S/c1-2-26-23(32)30-24-29-21-20(25)16(13-17(22(21)34-24)18-5-3-4-8-27-18)15-6-7-19(28-14-15)31-9-11-33-12-10-31/h3-8,13-14H,2,9-12H2,1H3,(H2,26,29,30,32).
What are the key properties of 1-ethyl-3-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea?
1-ethyl-3-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea has a molecular weight of 478.55 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-fluoro-5-(6-morpholin-4-yl-3-pyridinyl)-7-pyridin-2-yl-1,3-benzothiazol-2-yl]urea is sourced from PubChem (CID 44600383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).