5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine

C18H18N4O2S — CID 146173838

IUPAC5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cc(Oc3ccccc3)cc(N3CCOCC3)n2)s1
InChIInChI=1S/C18H18N4O2S/c19-18-20-12-16(25-18)15-10-14(24-13-4-2-1-3-5-13)11-17(21-15)22-6-8-23-9-7-22/h1-5,10-12H,6-9H2,(H2,19,20)
InChIKeyOVMCQYGOXYQBOT-UHFFFAOYSA-N
MW354.44 g/mol
LogP3.42
Rot. Bonds4

About 5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine

5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine (PubChem CID 146173838) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine
PubChem CID146173838
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cc(Oc3ccccc3)cc(N3CCOCC3)n2)s1
InChIInChI=1S/C18H18N4O2S/c19-18-20-12-16(25-18)15-10-14(24-13-4-2-1-3-5-13)11-17(21-15)22-6-8-23-9-7-22/h1-5,10-12H,6-9H2,(H2,19,20)
InChIKeyOVMCQYGOXYQBOT-UHFFFAOYSA-N
XLogP3.42
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine (CID 146173838) is 5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine is Nc1ncc(-c2cc(Oc3ccccc3)cc(N3CCOCC3)n2)s1.
What is the InChIKey of 5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine?
The InChIKey is OVMCQYGOXYQBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c19-18-20-12-16(25-18)15-10-14(24-13-4-2-1-3-5-13)11-17(21-15)22-6-8-23-9-7-22/h1-5,10-12H,6-9H2,(H2,19,20).
What are the key properties of 5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine?
5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine has a molecular weight of 354.44 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-morpholin-4-yl-4-phenoxy-2-pyridinyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 146173838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).