N-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine

C25H26N6O3S2 — CID 71562507

IUPACN-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccccc2)c(-c2ccnc(Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)n2)s1
InChIInChI=1S/C25H26N6O3S2/c1-17-8-9-19(16-21(17)36(32,33)31-12-14-34-15-13-31)28-24-27-11-10-20(29-24)23-22(30-25(26-2)35-23)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeyQRTGRZYUIZLJET-UHFFFAOYSA-N
MW522.66 g/mol
LogP4.38
Rot. Bonds7

About N-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine

N-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 71562507) has the molecular formula C25H26N6O3S2 and a molecular weight of 522.66 g/mol. Its IUPAC name is N-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID71562507
Molecular FormulaC25H26N6O3S2
Molecular Weight522.66 g/mol
Exact Mass522.15
IUPAC NameN-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccccc2)c(-c2ccnc(Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)n2)s1
InChIInChI=1S/C25H26N6O3S2/c1-17-8-9-19(16-21(17)36(32,33)31-12-14-34-15-13-31)28-24-27-11-10-20(29-24)23-22(30-25(26-2)35-23)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,26,30)(H,27,28,29)
InChIKeyQRTGRZYUIZLJET-UHFFFAOYSA-N
XLogP4.38
TPSA109.34 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.66
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[4-(4-fluorophenyl)-5-[2-[[1-(2-morpholin-4-ylethyl)indol-5-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]ethanesulfonamide
CID 168867734
4-[2-methyl-5-(5-phenyl-1,3,4-thiadiazol-2-yl)phenyl]sulfonylmorpholine
CID 163403555
4-methyl-5-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-N-(2-phenylethyl)-1,3-thiazol-2-amine
CID 11540100
5-[[4-[2-(ethylamino)-4-(3-methoxy-5-methylphenyl)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-2-morpholin-4-ylbenzoic acid
CID 86656298
4-(3-aminophenyl)-N-(2-morpholin-4-ylethyl)-5-[2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 89410375
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
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4-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]sulfonylmorpholine
CID 1252182
tert-butyl N-[5-[2-(3-chloroanilino)pyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-yl]carbamate
CID 21050819
N-[3-[5-[2-[3-chloro-4-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]-2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine (CID 71562507) is N-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine is CNc1nc(-c2ccccc2)c(-c2ccnc(Nc3ccc(C)c(S(=O)(=O)N4CCOCC4)c3)n2)s1.
What is the InChIKey of N-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is QRTGRZYUIZLJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3S2/c1-17-8-9-19(16-21(17)36(32,33)31-12-14-34-15-13-31)28-24-27-11-10-20(29-24)23-22(30-25(26-2)35-23)18-6-4-3-5-7-18/h3-11,16H,12-15H2,1-2H3,(H,26,30)(H,27,28,29).
What are the key properties of N-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine?
N-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 522.66 g/mol, XLogP of 4.38, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 71562507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).