2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide

C20H25N7O2S — CID 88917302

IUPAC2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
SMILESCOCC(C)Nc1nc(C)nc(Nc2ncc(CC(=O)Nc3ccc(C)cc3)s2)n1
InChIInChI=1S/C20H25N7O2S/c1-12-5-7-15(8-6-12)25-17(28)9-16-10-21-20(30-16)27-19-24-14(3)23-18(26-19)22-13(2)11-29-4/h5-8,10,13H,9,11H2,1-4H3,(H,25,28)(H2,21,22,23,24,26,27)
InChIKeySLXDNXPUBLTZDH-UHFFFAOYSA-N
MW427.53 g/mol
LogP3.32
Rot. Bonds9

About 2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide

2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide (PubChem CID 88917302) has the molecular formula C20H25N7O2S and a molecular weight of 427.53 g/mol. Its IUPAC name is 2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
PubChem CID88917302
Molecular FormulaC20H25N7O2S
Molecular Weight427.53 g/mol
Exact Mass427.18
IUPAC Name2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide
SMILESCOCC(C)Nc1nc(C)nc(Nc2ncc(CC(=O)Nc3ccc(C)cc3)s2)n1
InChIInChI=1S/C20H25N7O2S/c1-12-5-7-15(8-6-12)25-17(28)9-16-10-21-20(30-16)27-19-24-14(3)23-18(26-19)22-13(2)11-29-4/h5-8,10,13H,9,11H2,1-4H3,(H,25,28)(H2,21,22,23,24,26,27)
InChIKeySLXDNXPUBLTZDH-UHFFFAOYSA-N
XLogP3.32
TPSA113.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide (CID 88917302) is 2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide is COCC(C)Nc1nc(C)nc(Nc2ncc(CC(=O)Nc3ccc(C)cc3)s2)n1.
What is the InChIKey of 2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is SLXDNXPUBLTZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2S/c1-12-5-7-15(8-6-12)25-17(28)9-16-10-21-20(30-16)27-19-24-14(3)23-18(26-19)22-13(2)11-29-4/h5-8,10,13H,9,11H2,1-4H3,(H,25,28)(H2,21,22,23,24,26,27).
What are the key properties of 2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide?
2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 427.53 g/mol, XLogP of 3.32, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-(1-methoxypropan-2-ylamino)-6-methyl-1,3,5-triazin-2-yl]amino]-1,3-thiazol-5-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 88917302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).