2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-amine

C13H15N3OS — CID 90022908

IUPAC2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-amine
SMILESNc1cnc(-c2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C13H15N3OS/c14-12-9-15-13(18-12)10-1-3-11(4-2-10)16-5-7-17-8-6-16/h1-4,9H,5-8,14H2
InChIKeyRCZQPIMBWSTOLV-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.23
Rot. Bonds2

About 2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-amine

2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-amine (PubChem CID 90022908) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound Name2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-amine
PubChem CID90022908
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-amine
SMILESNc1cnc(-c2ccc(N3CCOCC3)cc2)s1
InChIInChI=1S/C13H15N3OS/c14-12-9-15-13(18-12)10-1-3-11(4-2-10)16-5-7-17-8-6-16/h1-4,9H,5-8,14H2
InChIKeyRCZQPIMBWSTOLV-UHFFFAOYSA-N
XLogP2.23
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-amine?
The IUPAC name of 2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-amine (CID 90022908) is 2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-amine.
What is the SMILES notation for 2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-amine?
The canonical SMILES for 2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-amine is Nc1cnc(-c2ccc(N3CCOCC3)cc2)s1.
What is the InChIKey of 2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-amine?
The InChIKey is RCZQPIMBWSTOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c14-12-9-15-13(18-12)10-1-3-11(4-2-10)16-5-7-17-8-6-16/h1-4,9H,5-8,14H2.
What are the key properties of 2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-amine?
2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-amine has a molecular weight of 261.35 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylphenyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 90022908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).