4-[4-[2-fluoro-3-(furan-2-ylsulfanylamino)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine

C21H19FN6O2S2 — CID 143891441

IUPAC4-[4-[2-fluoro-3-(furan-2-ylsulfanylamino)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2sc(N3CCOCC3)nc2-c2cccc(NSc3ccco3)c2F)n1
InChIInChI=1S/C21H19FN6O2S2/c22-17-13(3-1-4-14(17)27-32-16-5-2-10-30-16)18-19(15-6-7-24-20(23)25-15)31-21(26-18)28-8-11-29-12-9-28/h1-7,10,27H,8-9,11-12H2,(H2,23,24,25)
InChIKeyBYFNNDDIGDNINM-UHFFFAOYSA-N
MW470.56 g/mol
LogP4.54
Rot. Bonds6

About 4-[4-[2-fluoro-3-(furan-2-ylsulfanylamino)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine

4-[4-[2-fluoro-3-(furan-2-ylsulfanylamino)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 143891441) has the molecular formula C21H19FN6O2S2 and a molecular weight of 470.56 g/mol. Its IUPAC name is 4-[4-[2-fluoro-3-(furan-2-ylsulfanylamino)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[2-fluoro-3-(furan-2-ylsulfanylamino)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID143891441
Molecular FormulaC21H19FN6O2S2
Molecular Weight470.56 g/mol
Exact Mass470.10
IUPAC Name4-[4-[2-fluoro-3-(furan-2-ylsulfanylamino)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2sc(N3CCOCC3)nc2-c2cccc(NSc3ccco3)c2F)n1
InChIInChI=1S/C21H19FN6O2S2/c22-17-13(3-1-4-14(17)27-32-16-5-2-10-30-16)18-19(15-6-7-24-20(23)25-15)31-21(26-18)28-8-11-29-12-9-28/h1-7,10,27H,8-9,11-12H2,(H2,23,24,25)
InChIKeyBYFNNDDIGDNINM-UHFFFAOYSA-N
XLogP4.54
TPSA102.33 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-[2-fluoro-3-(furan-2-ylsulfanylamino)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(2-chloropyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-4-yl]-N-(2,5-difluorophenyl)sulfanyl-2-fluoroaniline
CID 143891451
4-[4-[2-fluoro-3-(methylsulfanylamino)phenyl]-2-methyl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 154954780
4-[2-(2-aminopropan-2-yl)-4-[3-[(2,6-difluorophenyl)sulfanylamino]-2-fluorophenyl]-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 143891585
1-[3-[5-(2-chloropyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-3,3,3-trifluoropropane-1-sulfonamide
CID 87304520
1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-fluorophenyl)imidazolidin-2-one
CID 90326662
2-methylpropyl 4-[5-(2-aminopyrimidin-4-yl)-4-[2-fluoro-3-(3,3,3-trifluoropropylsulfonylamino)phenyl]-1,3-thiazol-2-yl]piperazine-1-carboxylate
CID 67196479
2,5-difluoro-N-[2-fluoro-3-[5-[2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrimidin-4-yl]-2-morpholin-4-yl-1,3-thiazol-4-yl]phenyl]benzenesulfonamide
CID 58345872
N-[3-[5-(2-aminopyrimidin-4-yl)-2-tert-butyl-1,3-thiazol-4-yl]-2-fluorophenyl]pyrrolidine-1-sulfinamide
CID 166975832
1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(3,4-dichlorophenyl)imidazolidin-2-one
CID 90326664
N-[3-[5-(2-aminopyrimidin-4-yl)-2-(oxan-4-yl)-1,3-thiazol-4-yl]-2-chlorophenyl]furan-3-sulfonamide;N-[3-(2-tert-butyl-5-pyrimidin-4-yl-1,3-thiazol-4-yl)-2-fluorophenyl]-2,5-difluorobenzenesulfonamide;4-[4-[2-chloro-3-[(2,5-difluorophenyl)sulfonylmethyl]phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine;4-[4-[2-chloro-3-(furan-2-ylsulfonylmethyl)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
CID 159646995
1-[3-[4-(2-aminopyrimidin-4-yl)-2-morpholin-4-yl-1,3-thiazol-5-yl]phenyl]-3-(4-methylsulfonylphenyl)imidazolidin-2-one
CID 90326660
1-[3-[2-[2-[2-amino-6-[5-[3-[3-(4-chlorophenyl)-2-oxoimidazolidin-1-yl]-2-fluorophenyl]-2-morpholin-4-yl-1,3-thiazol-4-yl]pyrimidin-4-yl]morpholin-4-yl]-4-(2-aminopyrimidin-4-yl)-1,3-thiazol-5-yl]-2-fluorophenyl]-3-[4-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 123227880

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-fluoro-3-(furan-2-ylsulfanylamino)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of 4-[4-[2-fluoro-3-(furan-2-ylsulfanylamino)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 143891441) is 4-[4-[2-fluoro-3-(furan-2-ylsulfanylamino)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[4-[2-fluoro-3-(furan-2-ylsulfanylamino)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[4-[2-fluoro-3-(furan-2-ylsulfanylamino)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine is Nc1nccc(-c2sc(N3CCOCC3)nc2-c2cccc(NSc3ccco3)c2F)n1.
What is the InChIKey of 4-[4-[2-fluoro-3-(furan-2-ylsulfanylamino)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is BYFNNDDIGDNINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN6O2S2/c22-17-13(3-1-4-14(17)27-32-16-5-2-10-30-16)18-19(15-6-7-24-20(23)25-15)31-21(26-18)28-8-11-29-12-9-28/h1-7,10,27H,8-9,11-12H2,(H2,23,24,25).
What are the key properties of 4-[4-[2-fluoro-3-(furan-2-ylsulfanylamino)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
4-[4-[2-fluoro-3-(furan-2-ylsulfanylamino)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 470.56 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-fluoro-3-(furan-2-ylsulfanylamino)phenyl]-2-morpholin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 143891441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).