1-[(2S)-4-methylmorpholin-2-yl]-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine

C15H26N4O2S — CID 95159202

IUPAC1-[(2S)-4-methylmorpholin-2-yl]-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1nc(N2CCOCC2)sc1CNC[C@H]1CN(C)CCO1
InChIInChI=1S/C15H26N4O2S/c1-12-14(10-16-9-13-11-18(2)3-8-21-13)22-15(17-12)19-4-6-20-7-5-19/h13,16H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyUBECAYNDCJPKJV-ZDUSSCGKSA-N
MW326.47 g/mol
LogP0.71
Rot. Bonds5

About 1-[(2S)-4-methylmorpholin-2-yl]-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine

1-[(2S)-4-methylmorpholin-2-yl]-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine (PubChem CID 95159202) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-[(2S)-4-methylmorpholin-2-yl]-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S)-4-methylmorpholin-2-yl]-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
PubChem CID95159202
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name1-[(2S)-4-methylmorpholin-2-yl]-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
SMILESCc1nc(N2CCOCC2)sc1CNC[C@H]1CN(C)CCO1
InChIInChI=1S/C15H26N4O2S/c1-12-14(10-16-9-13-11-18(2)3-8-21-13)22-15(17-12)19-4-6-20-7-5-19/h13,16H,3-11H2,1-2H3/t13-/m0/s1
InChIKeyUBECAYNDCJPKJV-ZDUSSCGKSA-N
XLogP0.71
TPSA49.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2S)-4-methylmorpholin-2-yl]-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-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-[(2S)-4-methylmorpholin-2-yl]-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine?
The IUPAC name of 1-[(2S)-4-methylmorpholin-2-yl]-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine (CID 95159202) is 1-[(2S)-4-methylmorpholin-2-yl]-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2S)-4-methylmorpholin-2-yl]-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-[(2S)-4-methylmorpholin-2-yl]-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine is Cc1nc(N2CCOCC2)sc1CNC[C@H]1CN(C)CCO1.
What is the InChIKey of 1-[(2S)-4-methylmorpholin-2-yl]-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine?
The InChIKey is UBECAYNDCJPKJV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-12-14(10-16-9-13-11-18(2)3-8-21-13)22-15(17-12)19-4-6-20-7-5-19/h13,16H,3-11H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-[(2S)-4-methylmorpholin-2-yl]-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine?
1-[(2S)-4-methylmorpholin-2-yl]-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine has a molecular weight of 326.47 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-methylmorpholin-2-yl]-N-[(4-methyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 95159202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).