2-amino-6-[[2-(2,5-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile;propan-1-ol

C27H24F2N6OS2 — CID 143196948

IUPAC2-amino-6-[[2-(2,5-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile;propan-1-ol
SMILESCCCO.Cc1ccc(-c2c(C#N)c(N)nc(SCc3csc(Nc4cc(F)ccc4F)n3)c2C#N)cc1
InChIInChI=1S/C24H16F2N6S2.C3H8O/c1-13-2-4-14(5-3-13)21-17(9-27)22(29)32-23(18(21)10-28)33-11-16-12-34-24(30-16)31-20-8-15(25)6-7-19(20)26;1-2-3-4/h2-8,12H,11H2,1H3,(H2,29,32)(H,30,31);4H,2-3H2,1H3
InChIKeyIJKXAUDTRNBWGI-UHFFFAOYSA-N
MW550.66 g/mol
LogP6.54
Rot. Bonds7

About 2-amino-6-[[2-(2,5-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile;propan-1-ol

2-amino-6-[[2-(2,5-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile;propan-1-ol (PubChem CID 143196948) has the molecular formula C27H24F2N6OS2 and a molecular weight of 550.66 g/mol. Its IUPAC name is 2-amino-6-[[2-(2,5-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile;propan-1-ol.

Molecular Properties

Compound Name2-amino-6-[[2-(2,5-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile;propan-1-ol
PubChem CID143196948
Molecular FormulaC27H24F2N6OS2
Molecular Weight550.66 g/mol
Exact Mass550.14
IUPAC Name2-amino-6-[[2-(2,5-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile;propan-1-ol
SMILESCCCO.Cc1ccc(-c2c(C#N)c(N)nc(SCc3csc(Nc4cc(F)ccc4F)n3)c2C#N)cc1
InChIInChI=1S/C24H16F2N6S2.C3H8O/c1-13-2-4-14(5-3-13)21-17(9-27)22(29)32-23(18(21)10-28)33-11-16-12-34-24(30-16)31-20-8-15(25)6-7-19(20)26;1-2-3-4/h2-8,12H,11H2,1H3,(H2,29,32)(H,30,31);4H,2-3H2,1H3
InChIKeyIJKXAUDTRNBWGI-UHFFFAOYSA-N
XLogP6.54
TPSA131.64 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.66
LogP ≤ 56.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-amino-6-[[2-(2,5-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile;propan-1-ol 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

2-amino-6-[[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-(3-hydroxypropoxy)phenyl]pyridine-3,5-dicarbonitrile
CID 143196953
2-amino-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile
CID 143534778
2-amino-6-[[2-(2,4-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile
CID 24772851
2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[[2-(4-methylanilino)-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 89229641
2-amino-6-[[2-(3-fluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(3-hydroxypropyl)-3-pyridinyl]pyridine-3,5-dicarbonitrile
CID 89289759
2-amino-6-[[2-(3-fluoro-4-methoxyanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]pyridine-3,5-dicarbonitrile
CID 24771926
2-amino-6-[[2-(3,4-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-[(3R)-3,4-dihydroxybutyl]phenyl]pyridine-3,5-dicarbonitrile
CID 89332802
2-amino-4-[4-(2-hydroxyethoxy)phenyl]-6-[[2-(4-methoxyanilino)-1,3-thiazol-4-yl]methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 89229589
2-amino-6-[[2-(3-chloro-4-fluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-[4-[(3S)-3,4-dihydroxybutyl]phenyl]pyridine-3,5-dicarbonitrile
CID 89192363
ethyl 4-[[4-[[6-amino-3,5-dicyano-4-[4-(2-hydroxyethoxy)phenyl]-2-pyridinyl]sulfanylmethyl]-1,3-thiazol-2-yl]amino]benzoate
CID 87545076
6-amino-2-[[2-(4-fluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-[6-(2-hydroxyethoxy)-3-pyridinyl]-5-isocyanopyridine-3-carbonitrile
CID 59278619
2-amino-4-(4-fluorophenyl)-6-[(4-fluorophenyl)methylsulfanyl]pyridine-3,5-dicarbonitrile
CID 1387121

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[[2-(2,5-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile;propan-1-ol?
The IUPAC name of 2-amino-6-[[2-(2,5-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile;propan-1-ol (CID 143196948) is 2-amino-6-[[2-(2,5-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile;propan-1-ol.
What is the SMILES notation for 2-amino-6-[[2-(2,5-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile;propan-1-ol?
The canonical SMILES for 2-amino-6-[[2-(2,5-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile;propan-1-ol is CCCO.Cc1ccc(-c2c(C#N)c(N)nc(SCc3csc(Nc4cc(F)ccc4F)n3)c2C#N)cc1.
What is the InChIKey of 2-amino-6-[[2-(2,5-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile;propan-1-ol?
The InChIKey is IJKXAUDTRNBWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N6S2.C3H8O/c1-13-2-4-14(5-3-13)21-17(9-27)22(29)32-23(18(21)10-28)33-11-16-12-34-24(30-16)31-20-8-15(25)6-7-19(20)26;1-2-3-4/h2-8,12H,11H2,1H3,(H2,29,32)(H,30,31);4H,2-3H2,1H3.
What are the key properties of 2-amino-6-[[2-(2,5-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile;propan-1-ol?
2-amino-6-[[2-(2,5-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile;propan-1-ol has a molecular weight of 550.66 g/mol, XLogP of 6.54, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[[2-(2,5-difluoroanilino)-1,3-thiazol-4-yl]methylsulfanyl]-4-(4-methylphenyl)pyridine-3,5-dicarbonitrile;propan-1-ol is sourced from PubChem (CID 143196948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).