1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine

C21H29N3OS — CID 119129183

IUPAC1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
SMILESc1ccc(-c2ncc(CNCC3(N4CCCCC4)CCOCC3)s2)cc1
InChIInChI=1S/C21H29N3OS/c1-3-7-18(8-4-1)20-23-16-19(26-20)15-22-17-21(9-13-25-14-10-21)24-11-5-2-6-12-24/h1,3-4,7-8,16,22H,2,5-6,9-15,17H2
InChIKeyRGEOWAQZXHEZQC-UHFFFAOYSA-N
MW371.55 g/mol
LogP3.93
Rot. Bonds6

About 1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine

1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine (PubChem CID 119129183) has the molecular formula C21H29N3OS and a molecular weight of 371.55 g/mol. Its IUPAC name is 1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
PubChem CID119129183
Molecular FormulaC21H29N3OS
Molecular Weight371.55 g/mol
Exact Mass371.20
IUPAC Name1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine
SMILESc1ccc(-c2ncc(CNCC3(N4CCCCC4)CCOCC3)s2)cc1
InChIInChI=1S/C21H29N3OS/c1-3-7-18(8-4-1)20-23-16-19(26-20)15-22-17-21(9-13-25-14-10-21)24-11-5-2-6-12-24/h1,3-4,7-8,16,22H,2,5-6,9-15,17H2
InChIKeyRGEOWAQZXHEZQC-UHFFFAOYSA-N
XLogP3.93
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.55
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine 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-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine (CID 119129183) is 1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine is c1ccc(-c2ncc(CNCC3(N4CCCCC4)CCOCC3)s2)cc1.
What is the InChIKey of 1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
The InChIKey is RGEOWAQZXHEZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3OS/c1-3-7-18(8-4-1)20-23-16-19(26-20)15-22-17-21(9-13-25-14-10-21)24-11-5-2-6-12-24/h1,3-4,7-8,16,22H,2,5-6,9-15,17H2.
What are the key properties of 1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine?
1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine has a molecular weight of 371.55 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1,3-thiazol-5-yl)-N-[(4-piperidin-1-yloxan-4-yl)methyl]methanamine is sourced from PubChem (CID 119129183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).