3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine

C17H26N4OS2 — CID 97262517

IUPAC3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESC[C@@H]1CN(CCCN(Cc2cscn2)Cc2cscn2)C[C@H](C)O1
InChIInChI=1S/C17H26N4OS2/c1-14-6-20(7-15(2)22-14)4-3-5-21(8-16-10-23-12-18-16)9-17-11-24-13-19-17/h10-15H,3-9H2,1-2H3/t14-,15+
InChIKeyUERQCOAPGGQABW-GASCZTMLSA-N
MW366.56 g/mol
LogP3.10
Rot. Bonds8

About 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine

3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine (PubChem CID 97262517) has the molecular formula C17H26N4OS2 and a molecular weight of 366.56 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine
PubChem CID97262517
Molecular FormulaC17H26N4OS2
Molecular Weight366.56 g/mol
Exact Mass366.15
IUPAC Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine
SMILESC[C@@H]1CN(CCCN(Cc2cscn2)Cc2cscn2)C[C@H](C)O1
InChIInChI=1S/C17H26N4OS2/c1-14-6-20(7-15(2)22-14)4-3-5-21(8-16-10-23-12-18-16)9-17-11-24-13-19-17/h10-15H,3-9H2,1-2H3/t14-,15+
InChIKeyUERQCOAPGGQABW-GASCZTMLSA-N
XLogP3.10
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.56
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine (CID 97262517) is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine is C[C@@H]1CN(CCCN(Cc2cscn2)Cc2cscn2)C[C@H](C)O1.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine?
The InChIKey is UERQCOAPGGQABW-GASCZTMLSA-N. The full InChI is InChI=1S/C17H26N4OS2/c1-14-6-20(7-15(2)22-14)4-3-5-21(8-16-10-23-12-18-16)9-17-11-24-13-19-17/h10-15H,3-9H2,1-2H3/t14-,15+.
What are the key properties of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine?
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine has a molecular weight of 366.56 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N,N-bis(1,3-thiazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 97262517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).