1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone

C21H29N5O2S — CID 155985048

IUPAC1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
SMILESCc1cnc(Nc2cccc(C3CN(CC(=O)N4CCCCCC4)CCO3)n2)s1
InChIInChI=1S/C21H29N5O2S/c1-16-13-22-21(29-16)24-19-8-6-7-17(23-19)18-14-25(11-12-28-18)15-20(27)26-9-4-2-3-5-10-26/h6-8,13,18H,2-5,9-12,14-15H2,1H3,(H,22,23,24)
InChIKeyAVIBCRCELYARGE-UHFFFAOYSA-N
MW415.56 g/mol
LogP3.37
Rot. Bonds5

About 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone

1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone (PubChem CID 155985048) has the molecular formula C21H29N5O2S and a molecular weight of 415.56 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
PubChem CID155985048
Molecular FormulaC21H29N5O2S
Molecular Weight415.56 g/mol
Exact Mass415.20
IUPAC Name1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone
SMILESCc1cnc(Nc2cccc(C3CN(CC(=O)N4CCCCCC4)CCO3)n2)s1
InChIInChI=1S/C21H29N5O2S/c1-16-13-22-21(29-16)24-19-8-6-7-17(23-19)18-14-25(11-12-28-18)15-20(27)26-9-4-2-3-5-10-26/h6-8,13,18H,2-5,9-12,14-15H2,1H3,(H,22,23,24)
InChIKeyAVIBCRCELYARGE-UHFFFAOYSA-N
XLogP3.37
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.56
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone 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-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?
The IUPAC name of 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone (CID 155985048) is 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone.
What is the SMILES notation for 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?
The canonical SMILES for 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone is Cc1cnc(Nc2cccc(C3CN(CC(=O)N4CCCCCC4)CCO3)n2)s1.
What is the InChIKey of 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?
The InChIKey is AVIBCRCELYARGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2S/c1-16-13-22-21(29-16)24-19-8-6-7-17(23-19)18-14-25(11-12-28-18)15-20(27)26-9-4-2-3-5-10-26/h6-8,13,18H,2-5,9-12,14-15H2,1H3,(H,22,23,24).
What are the key properties of 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone?
1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone has a molecular weight of 415.56 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-2-[2-[6-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]morpholin-4-yl]ethanone is sourced from PubChem (CID 155985048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).