1-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]urea

C20H22N6O3S — CID 18771618

IUPAC1-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]urea
SMILESCOc1cc(-c2nc(NC(=O)Nc3cccc(CN4CCOCC4)n3)cs2)ccn1
InChIInChI=1S/C20H22N6O3S/c1-28-18-11-14(5-6-21-18)19-23-17(13-30-19)25-20(27)24-16-4-2-3-15(22-16)12-26-7-9-29-10-8-26/h2-6,11,13H,7-10,12H2,1H3,(H2,22,24,25,27)
InChIKeyZSUPKBVMYBLLEF-UHFFFAOYSA-N
MW426.50 g/mol
LogP3.08
Rot. Bonds6

About 1-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]urea

1-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]urea (PubChem CID 18771618) has the molecular formula C20H22N6O3S and a molecular weight of 426.50 g/mol. Its IUPAC name is 1-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]urea.

Molecular Properties

Compound Name1-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]urea
PubChem CID18771618
Molecular FormulaC20H22N6O3S
Molecular Weight426.50 g/mol
Exact Mass426.15
IUPAC Name1-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]urea
SMILESCOc1cc(-c2nc(NC(=O)Nc3cccc(CN4CCOCC4)n3)cs2)ccn1
InChIInChI=1S/C20H22N6O3S/c1-28-18-11-14(5-6-21-18)19-23-17(13-30-19)25-20(27)24-16-4-2-3-15(22-16)12-26-7-9-29-10-8-26/h2-6,11,13H,7-10,12H2,1H3,(H2,22,24,25,27)
InChIKeyZSUPKBVMYBLLEF-UHFFFAOYSA-N
XLogP3.08
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]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-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]urea?
The IUPAC name of 1-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]urea (CID 18771618) is 1-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]urea.
What is the SMILES notation for 1-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]urea?
The canonical SMILES for 1-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]urea is COc1cc(-c2nc(NC(=O)Nc3cccc(CN4CCOCC4)n3)cs2)ccn1.
What is the InChIKey of 1-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]urea?
The InChIKey is ZSUPKBVMYBLLEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S/c1-28-18-11-14(5-6-21-18)19-23-17(13-30-19)25-20(27)24-16-4-2-3-15(22-16)12-26-7-9-29-10-8-26/h2-6,11,13H,7-10,12H2,1H3,(H2,22,24,25,27).
What are the key properties of 1-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]urea?
1-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]urea has a molecular weight of 426.50 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-4-pyridinyl)-1,3-thiazol-4-yl]-3-[6-(morpholin-4-ylmethyl)-2-pyridinyl]urea is sourced from PubChem (CID 18771618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).