N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine

C13H16N4OS — CID 53273506

IUPACN-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine
SMILESc1ccc(-c2cnc(CNN3CCOCC3)s2)nc1
InChIInChI=1S/C13H16N4OS/c1-2-4-14-11(3-1)12-9-15-13(19-12)10-16-17-5-7-18-8-6-17/h1-4,9,16H,5-8,10H2
InChIKeyMMXILECJXHKRBX-UHFFFAOYSA-N
MW276.36 g/mol
LogP1.54
Rot. Bonds4

About N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine

N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine (PubChem CID 53273506) has the molecular formula C13H16N4OS and a molecular weight of 276.36 g/mol. Its IUPAC name is N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine.

Molecular Properties

Compound NameN-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine
PubChem CID53273506
Molecular FormulaC13H16N4OS
Molecular Weight276.36 g/mol
Exact Mass276.10
IUPAC NameN-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine
SMILESc1ccc(-c2cnc(CNN3CCOCC3)s2)nc1
InChIInChI=1S/C13H16N4OS/c1-2-4-14-11(3-1)12-9-15-13(19-12)10-16-17-5-7-18-8-6-17/h1-4,9,16H,5-8,10H2
InChIKeyMMXILECJXHKRBX-UHFFFAOYSA-N
XLogP1.54
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine?
The IUPAC name of N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine (CID 53273506) is N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine.
What is the SMILES notation for N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine?
The canonical SMILES for N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine is c1ccc(-c2cnc(CNN3CCOCC3)s2)nc1.
What is the InChIKey of N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine?
The InChIKey is MMXILECJXHKRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-2-4-14-11(3-1)12-9-15-13(19-12)10-16-17-5-7-18-8-6-17/h1-4,9,16H,5-8,10H2.
What are the key properties of N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine?
N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine has a molecular weight of 276.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pyridin-2-yl-1,3-thiazol-2-yl)methyl]morpholin-4-amine is sourced from PubChem (CID 53273506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).