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

C21H19N5OS2 — CID 171358589

IUPACN-(4-morpholin-4-ylphenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESc1cncc(-c2csc(-c3csc(Nc4ccc(N5CCOCC5)cc4)n3)n2)c1
InChIInChI=1S/C21H19N5OS2/c1-2-15(12-22-7-1)18-13-28-20(24-18)19-14-29-21(25-19)23-16-3-5-17(6-4-16)26-8-10-27-11-9-26/h1-7,12-14H,8-11H2,(H,23,25)
InChIKeyIZQVMCKIZHVNEF-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.91
Rot. Bonds5

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

N-(4-morpholin-4-ylphenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine (PubChem CID 171358589) has the molecular formula C21H19N5OS2 and a molecular weight of 421.55 g/mol. Its IUPAC name is N-(4-morpholin-4-ylphenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-morpholin-4-ylphenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
PubChem CID171358589
Molecular FormulaC21H19N5OS2
Molecular Weight421.55 g/mol
Exact Mass421.10
IUPAC NameN-(4-morpholin-4-ylphenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine
SMILESc1cncc(-c2csc(-c3csc(Nc4ccc(N5CCOCC5)cc4)n3)n2)c1
InChIInChI=1S/C21H19N5OS2/c1-2-15(12-22-7-1)18-13-28-20(24-18)19-14-29-21(25-19)23-16-3-5-17(6-4-16)26-8-10-27-11-9-26/h1-7,12-14H,8-11H2,(H,23,25)
InChIKeyIZQVMCKIZHVNEF-UHFFFAOYSA-N
XLogP4.91
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-morpholin-4-yl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzamide
CID 162386909
N-(4-morpholin-4-ylphenyl)-4-pyridin-2-yl-1,3-thiazol-2-amine
CID 122192398
4-(4-chlorophenyl)-N-(4-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
CID 118708824
N,4-dipyridin-3-yl-1,3-thiazol-2-amine
CID 2215784
4-phenyl-N-(4-piperazin-1-ylphenyl)-1,3-thiazol-2-amine
CID 117097264
N-(6-phenyl-3-pyridinyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791761
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide
CID 5344942
N-[4-(4-methylphenoxy)phenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58791876
N-(3,5-dimethylphenyl)-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 58910456
N-[3-(difluoromethyl)-4-fluorophenyl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 143328866
N-[2-(4-fluorophenyl)benzotriazol-5-yl]-4-pyridin-3-yl-1,3-thiazol-2-amine
CID 87078195
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazol-2-amine
CID 134126795

Frequently Asked Questions

What is the IUPAC name of N-(4-morpholin-4-ylphenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of N-(4-morpholin-4-ylphenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine (CID 171358589) is N-(4-morpholin-4-ylphenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-morpholin-4-ylphenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-morpholin-4-ylphenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine is c1cncc(-c2csc(-c3csc(Nc4ccc(N5CCOCC5)cc4)n3)n2)c1.
What is the InChIKey of N-(4-morpholin-4-ylphenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
The InChIKey is IZQVMCKIZHVNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS2/c1-2-15(12-22-7-1)18-13-28-20(24-18)19-14-29-21(25-19)23-16-3-5-17(6-4-16)26-8-10-27-11-9-26/h1-7,12-14H,8-11H2,(H,23,25).
What are the key properties of N-(4-morpholin-4-ylphenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine?
N-(4-morpholin-4-ylphenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine has a molecular weight of 421.55 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-morpholin-4-ylphenyl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 171358589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).