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

C13H15N3OS — CID 87173699

IUPACN-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
SMILESc1csc(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C13H15N3OS/c1-3-12(16-6-8-17-9-7-16)4-2-11(1)15-13-14-5-10-18-13/h1-5,10H,6-9H2,(H,14,15)
InChIKeyCZRCJSZVANMFHW-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.72
Rot. Bonds3

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

N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine (PubChem CID 87173699) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
PubChem CID87173699
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC NameN-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
SMILESc1csc(Nc2ccc(N3CCOCC3)cc2)n1
InChIInChI=1S/C13H15N3OS/c1-3-12(16-6-8-17-9-7-16)4-2-11(1)15-13-14-5-10-18-13/h1-5,10H,6-9H2,(H,14,15)
InChIKeyCZRCJSZVANMFHW-UHFFFAOYSA-N
XLogP2.72
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine (CID 87173699) is N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine is c1csc(Nc2ccc(N3CCOCC3)cc2)n1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine?
The InChIKey is CZRCJSZVANMFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-3-12(16-6-8-17-9-7-16)4-2-11(1)15-13-14-5-10-18-13/h1-5,10H,6-9H2,(H,14,15).
What are the key properties of N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine?
N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine has a molecular weight of 261.35 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 87173699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).