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

C18H18N4OS — CID 122192398

IUPACN-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(Nc3ccc(N4CCOCC4)cc3)n2)nc1
InChIInChI=1S/C18H18N4OS/c1-2-8-19-16(3-1)17-13-24-18(21-17)20-14-4-6-15(7-5-14)22-9-11-23-12-10-22/h1-8,13H,9-12H2,(H,20,21)
InChIKeyHCDREACMELFKJV-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.79
Rot. Bonds4

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

N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine (PubChem CID 122192398) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
PubChem CID122192398
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC NameN-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
SMILESc1ccc(-c2csc(Nc3ccc(N4CCOCC4)cc3)n2)nc1
InChIInChI=1S/C18H18N4OS/c1-2-8-19-16(3-1)17-13-24-18(21-17)20-14-4-6-15(7-5-14)22-9-11-23-12-10-22/h1-8,13H,9-12H2,(H,20,21)
InChIKeyHCDREACMELFKJV-UHFFFAOYSA-N
XLogP3.79
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
CID 118708824
N-(4-morpholin-4-ylphenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 171358589
N-(4-fluorophenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrobromide
CID 91800824
4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]benzoic acid
CID 704429
N-(5-piperidin-1-yl-2-pyridinyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 175729939
N-(4-methoxyphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine;hydrochloride
CID 126477222
N-(3,4-dimethylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 972690
4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
CID 117097264
6-methyl-2-morpholin-4-yl-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 46978556
N-(4-piperazin-1-ylphenyl)-4-(1,3-thiazol-2-yl)-1,3-thiazol-2-amine
CID 163214659
2-[[4-[(4-pyridin-2-yl-1,3-thiazol-2-yl)amino]phenyl]hydrazinylidene]propanedinitrile
CID 169339579
4-morpholin-4-yl-N-phenylaniline
CID 159018746

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine (CID 122192398) is N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine is c1ccc(-c2csc(Nc3ccc(N4CCOCC4)cc3)n2)nc1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
The InChIKey is HCDREACMELFKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-2-8-19-16(3-1)17-13-24-18(21-17)20-14-4-6-15(7-5-14)22-9-11-23-12-10-22/h1-8,13H,9-12H2,(H,20,21).
What are the key properties of N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine?
N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine has a molecular weight of 338.44 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 122192398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).