N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine

C23H25F2N9O2S — CID 66870401

IUPACN-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine
SMILESFC(F)c1nc2ccccc2n1-c1nc(Nc2cnc(CN3CCOCC3)s2)nc(N2CCOCC2)n1
InChIInChI=1S/C23H25F2N9O2S/c24-19(25)20-27-15-3-1-2-4-16(15)34(20)23-30-21(29-22(31-23)33-7-11-36-12-8-33)28-17-13-26-18(37-17)14-32-5-9-35-10-6-32/h1-4,13,19H,5-12,14H2,(H,28,29,30,31)
InChIKeyLZNPHCMIXSYGAS-UHFFFAOYSA-N
MW529.58 g/mol
LogP3.02
Rot. Bonds7

About N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine

N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine (PubChem CID 66870401) has the molecular formula C23H25F2N9O2S and a molecular weight of 529.58 g/mol. Its IUPAC name is N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine
PubChem CID66870401
Molecular FormulaC23H25F2N9O2S
Molecular Weight529.58 g/mol
Exact Mass529.18
IUPAC NameN-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine
SMILESFC(F)c1nc2ccccc2n1-c1nc(Nc2cnc(CN3CCOCC3)s2)nc(N2CCOCC2)n1
InChIInChI=1S/C23H25F2N9O2S/c24-19(25)20-27-15-3-1-2-4-16(15)34(20)23-30-21(29-22(31-23)33-7-11-36-12-8-33)28-17-13-26-18(37-17)14-32-5-9-35-10-6-32/h1-4,13,19H,5-12,14H2,(H,28,29,30,31)
InChIKeyLZNPHCMIXSYGAS-UHFFFAOYSA-N
XLogP3.02
TPSA106.35 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.58
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine?
The IUPAC name of N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine (CID 66870401) is N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine.
What is the SMILES notation for N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine?
The canonical SMILES for N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine is FC(F)c1nc2ccccc2n1-c1nc(Nc2cnc(CN3CCOCC3)s2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine?
The InChIKey is LZNPHCMIXSYGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N9O2S/c24-19(25)20-27-15-3-1-2-4-16(15)34(20)23-30-21(29-22(31-23)33-7-11-36-12-8-33)28-17-13-26-18(37-17)14-32-5-9-35-10-6-32/h1-4,13,19H,5-12,14H2,(H,28,29,30,31).
What are the key properties of N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine?
N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine has a molecular weight of 529.58 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]-2-(morpholin-4-ylmethyl)-1,3-thiazol-5-amine is sourced from PubChem (CID 66870401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).