N-[6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine

C23H26N6OS — CID 155984933

IUPACN-[6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCC(C)n1c(CN2CCOC(c3cccc(Nc4nccs4)n3)C2)nc2ccccc21
InChIInChI=1S/C23H26N6OS/c1-16(2)29-19-8-4-3-6-17(19)26-22(29)15-28-11-12-30-20(14-28)18-7-5-9-21(25-18)27-23-24-10-13-31-23/h3-10,13,16,20H,11-12,14-15H2,1-2H3,(H,24,25,27)
InChIKeyAXDLKAOCCVCJEE-UHFFFAOYSA-N
MW434.57 g/mol
LogP4.79
Rot. Bonds6

About N-[6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine

N-[6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine (PubChem CID 155984933) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is N-[6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
PubChem CID155984933
Molecular FormulaC23H26N6OS
Molecular Weight434.57 g/mol
Exact Mass434.19
IUPAC NameN-[6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine
SMILESCC(C)n1c(CN2CCOC(c3cccc(Nc4nccs4)n3)C2)nc2ccccc21
InChIInChI=1S/C23H26N6OS/c1-16(2)29-19-8-4-3-6-17(19)26-22(29)15-28-11-12-30-20(14-28)18-7-5-9-21(25-18)27-23-24-10-13-31-23/h3-10,13,16,20H,11-12,14-15H2,1-2H3,(H,24,25,27)
InChIKeyAXDLKAOCCVCJEE-UHFFFAOYSA-N
XLogP4.79
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine (CID 155984933) is N-[6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine is CC(C)n1c(CN2CCOC(c3cccc(Nc4nccs4)n3)C2)nc2ccccc21.
What is the InChIKey of N-[6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
The InChIKey is AXDLKAOCCVCJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-16(2)29-19-8-4-3-6-17(19)26-22(29)15-28-11-12-30-20(14-28)18-7-5-9-21(25-18)27-23-24-10-13-31-23/h3-10,13,16,20H,11-12,14-15H2,1-2H3,(H,24,25,27).
What are the key properties of N-[6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine?
N-[6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine has a molecular weight of 434.57 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-[(1-propan-2-ylbenzimidazol-2-yl)methyl]morpholin-2-yl]-2-pyridinyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 155984933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).