[2-[morpholin-4-yl(phenyl)methyl]-1,3-thiazol-4-yl]methanamine

C15H19N3OS — CID 84750452

IUPAC[2-[morpholin-4-yl(phenyl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(C(c2ccccc2)N2CCOCC2)n1
InChIInChI=1S/C15H19N3OS/c16-10-13-11-20-15(17-13)14(12-4-2-1-3-5-12)18-6-8-19-9-7-18/h1-5,11,14H,6-10,16H2
InChIKeyNFGAEZSEWFAYTI-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.02
Rot. Bonds4

About [2-[morpholin-4-yl(phenyl)methyl]-1,3-thiazol-4-yl]methanamine

[2-[morpholin-4-yl(phenyl)methyl]-1,3-thiazol-4-yl]methanamine (PubChem CID 84750452) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is [2-[morpholin-4-yl(phenyl)methyl]-1,3-thiazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[morpholin-4-yl(phenyl)methyl]-1,3-thiazol-4-yl]methanamine
PubChem CID84750452
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name[2-[morpholin-4-yl(phenyl)methyl]-1,3-thiazol-4-yl]methanamine
SMILESNCc1csc(C(c2ccccc2)N2CCOCC2)n1
InChIInChI=1S/C15H19N3OS/c16-10-13-11-20-15(17-13)14(12-4-2-1-3-5-12)18-6-8-19-9-7-18/h1-5,11,14H,6-10,16H2
InChIKeyNFGAEZSEWFAYTI-UHFFFAOYSA-N
XLogP2.02
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[morpholin-4-yl(phenyl)methyl]-1,3-thiazol-4-yl]methanamine?
The IUPAC name of [2-[morpholin-4-yl(phenyl)methyl]-1,3-thiazol-4-yl]methanamine (CID 84750452) is [2-[morpholin-4-yl(phenyl)methyl]-1,3-thiazol-4-yl]methanamine.
What is the SMILES notation for [2-[morpholin-4-yl(phenyl)methyl]-1,3-thiazol-4-yl]methanamine?
The canonical SMILES for [2-[morpholin-4-yl(phenyl)methyl]-1,3-thiazol-4-yl]methanamine is NCc1csc(C(c2ccccc2)N2CCOCC2)n1.
What is the InChIKey of [2-[morpholin-4-yl(phenyl)methyl]-1,3-thiazol-4-yl]methanamine?
The InChIKey is NFGAEZSEWFAYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c16-10-13-11-20-15(17-13)14(12-4-2-1-3-5-12)18-6-8-19-9-7-18/h1-5,11,14H,6-10,16H2.
What are the key properties of [2-[morpholin-4-yl(phenyl)methyl]-1,3-thiazol-4-yl]methanamine?
[2-[morpholin-4-yl(phenyl)methyl]-1,3-thiazol-4-yl]methanamine has a molecular weight of 289.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[morpholin-4-yl(phenyl)methyl]-1,3-thiazol-4-yl]methanamine is sourced from PubChem (CID 84750452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).