(5-alumanyl-2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine

C8H14AlN3OS — CID 163448006

IUPAC(5-alumanyl-2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine
SMILESNCc1nc(N2CCOCC2)sc1[AlH2]
InChIInChI=1S/C8H12N3OS.Al.2H/c9-5-7-6-13-8(10-7)11-1-3-12-4-2-11;;;/h1-5,9H2;;;
InChIKeyBEDSEBMEYUMGLG-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.30
Rot. Bonds2

About (5-alumanyl-2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine

(5-alumanyl-2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine (PubChem CID 163448006) has the molecular formula C8H14AlN3OS and a molecular weight of 227.27 g/mol. Its IUPAC name is (5-alumanyl-2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-alumanyl-2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine
PubChem CID163448006
Molecular FormulaC8H14AlN3OS
Molecular Weight227.27 g/mol
Exact Mass227.07
IUPAC Name(5-alumanyl-2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine
SMILESNCc1nc(N2CCOCC2)sc1[AlH2]
InChIInChI=1S/C8H12N3OS.Al.2H/c9-5-7-6-13-8(10-7)11-1-3-12-4-2-11;;;/h1-5,9H2;;;
InChIKeyBEDSEBMEYUMGLG-UHFFFAOYSA-N
XLogP-1.30
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-alumanyl-2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of (5-alumanyl-2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine (CID 163448006) is (5-alumanyl-2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for (5-alumanyl-2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for (5-alumanyl-2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine is NCc1nc(N2CCOCC2)sc1[AlH2].
What is the InChIKey of (5-alumanyl-2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine?
The InChIKey is BEDSEBMEYUMGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N3OS.Al.2H/c9-5-7-6-13-8(10-7)11-1-3-12-4-2-11;;;/h1-5,9H2;;;.
What are the key properties of (5-alumanyl-2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine?
(5-alumanyl-2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine has a molecular weight of 227.27 g/mol, XLogP of -1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-alumanyl-2-morpholin-4-yl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 163448006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).