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

C19H22N6O3S2 — CID 11640878

IUPAC4-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nccc(-c3sc(N)nc3C)n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H22N6O3S2/c1-12-3-4-14(11-16(12)30(26,27)25-7-9-28-10-8-25)23-19-21-6-5-15(24-19)17-13(2)22-18(20)29-17/h3-6,11H,7-10H2,1-2H3,(H2,20,22)(H,21,23,24)
InChIKeyOQWUAZIPUCLTLQ-UHFFFAOYSA-N
MW446.56 g/mol
LogP2.56
Rot. Bonds5

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

4-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (PubChem CID 11640878) has the molecular formula C19H22N6O3S2 and a molecular weight of 446.56 g/mol. Its IUPAC name is 4-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
PubChem CID11640878
Molecular FormulaC19H22N6O3S2
Molecular Weight446.56 g/mol
Exact Mass446.12
IUPAC Name4-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine
SMILESCc1ccc(Nc2nccc(-c3sc(N)nc3C)n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C19H22N6O3S2/c1-12-3-4-14(11-16(12)30(26,27)25-7-9-28-10-8-25)23-19-21-6-5-15(24-19)17-13(2)22-18(20)29-17/h3-6,11H,7-10H2,1-2H3,(H2,20,22)(H,21,23,24)
InChIKeyOQWUAZIPUCLTLQ-UHFFFAOYSA-N
XLogP2.56
TPSA123.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine (CID 11640878) is 4-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is Cc1ccc(Nc2nccc(-c3sc(N)nc3C)n2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
The InChIKey is OQWUAZIPUCLTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S2/c1-12-3-4-14(11-16(12)30(26,27)25-7-9-28-10-8-25)23-19-21-6-5-15(24-19)17-13(2)22-18(20)29-17/h3-6,11H,7-10H2,1-2H3,(H2,20,22)(H,21,23,24).
What are the key properties of 4-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine?
4-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine has a molecular weight of 446.56 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)pyrimidin-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 11640878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).