N-[2-methyl-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide

C26H27N7OS — CID 68562439

IUPACN-[2-methyl-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(c4nc(-c5ccccc5)cs4)CC3)n2)c1C
InChIInChI=1S/C26H27N7OS/c1-17-21(29-18(2)34)9-6-10-22(17)31-25-27-16-28-26(32-25)33-13-11-20(12-14-33)24-30-23(15-35-24)19-7-4-3-5-8-19/h3-10,15-16,20H,11-14H2,1-2H3,(H,29,34)(H,27,28,31,32)
InChIKeyANGBEVVKYITUPV-UHFFFAOYSA-N
MW485.62 g/mol
LogP5.39
Rot. Bonds6

About N-[2-methyl-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide

N-[2-methyl-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide (PubChem CID 68562439) has the molecular formula C26H27N7OS and a molecular weight of 485.62 g/mol. Its IUPAC name is N-[2-methyl-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
PubChem CID68562439
Molecular FormulaC26H27N7OS
Molecular Weight485.62 g/mol
Exact Mass485.20
IUPAC NameN-[2-methyl-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2ncnc(N3CCC(c4nc(-c5ccccc5)cs4)CC3)n2)c1C
InChIInChI=1S/C26H27N7OS/c1-17-21(29-18(2)34)9-6-10-22(17)31-25-27-16-28-26(32-25)33-13-11-20(12-14-33)24-30-23(15-35-24)19-7-4-3-5-8-19/h3-10,15-16,20H,11-14H2,1-2H3,(H,29,34)(H,27,28,31,32)
InChIKeyANGBEVVKYITUPV-UHFFFAOYSA-N
XLogP5.39
TPSA95.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.62
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[2-methyl-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide (CID 68562439) is N-[2-methyl-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[2-methyl-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2ncnc(N3CCC(c4nc(-c5ccccc5)cs4)CC3)n2)c1C.
What is the InChIKey of N-[2-methyl-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
The InChIKey is ANGBEVVKYITUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7OS/c1-17-21(29-18(2)34)9-6-10-22(17)31-25-27-16-28-26(32-25)33-13-11-20(12-14-33)24-30-23(15-35-24)19-7-4-3-5-8-19/h3-10,15-16,20H,11-14H2,1-2H3,(H,29,34)(H,27,28,31,32).
What are the key properties of N-[2-methyl-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide?
N-[2-methyl-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide has a molecular weight of 485.62 g/mol, XLogP of 5.39, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[[4-[4-(4-phenyl-1,3-thiazol-2-yl)piperidin-1-yl]-1,3,5-triazin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 68562439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).