[2-(2,5-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

C13H23N3OS — CID 79395338

IUPAC[2-(2,5-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC1CN(c2nc(C(C)C)c(CN)s2)C(C)CO1
InChIInChI=1S/C13H23N3OS/c1-8(2)12-11(5-14)18-13(15-12)16-6-10(4)17-7-9(16)3/h8-10H,5-7,14H2,1-4H3
InChIKeyXNIFXMNRCQFYTE-UHFFFAOYSA-N
MW269.41 g/mol
LogP2.34
Rot. Bonds3

About [2-(2,5-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

[2-(2,5-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 79395338) has the molecular formula C13H23N3OS and a molecular weight of 269.41 g/mol. Its IUPAC name is [2-(2,5-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(2,5-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
PubChem CID79395338
Molecular FormulaC13H23N3OS
Molecular Weight269.41 g/mol
Exact Mass269.16
IUPAC Name[2-(2,5-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC1CN(c2nc(C(C)C)c(CN)s2)C(C)CO1
InChIInChI=1S/C13H23N3OS/c1-8(2)12-11(5-14)18-13(15-12)16-6-10(4)17-7-9(16)3/h8-10H,5-7,14H2,1-4H3
InChIKeyXNIFXMNRCQFYTE-UHFFFAOYSA-N
XLogP2.34
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(2,5-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (CID 79395338) is [2-(2,5-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(2,5-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(2,5-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is CC1CN(c2nc(C(C)C)c(CN)s2)C(C)CO1.
What is the InChIKey of [2-(2,5-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is XNIFXMNRCQFYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3OS/c1-8(2)12-11(5-14)18-13(15-12)16-6-10(4)17-7-9(16)3/h8-10H,5-7,14H2,1-4H3.
What are the key properties of [2-(2,5-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
[2-(2,5-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 269.41 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylmorpholin-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 79395338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).