1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine

C26H23N7S — CID 158243749

IUPAC1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine
SMILESCc1ccc(-c2cnc(-c3cccc(CN(Cc4ncccn4)Cc4ncccn4)n3)s2)cc1
InChIInChI=1S/C26H23N7S/c1-19-7-9-20(10-8-19)23-15-31-26(34-23)22-6-2-5-21(32-22)16-33(17-24-27-11-3-12-28-24)18-25-29-13-4-14-30-25/h2-15H,16-18H2,1H3
InChIKeyOJISYIIYNZTGMJ-UHFFFAOYSA-N
MW465.59 g/mol
LogP4.96
Rot. Bonds8

About 1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine

1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine (PubChem CID 158243749) has the molecular formula C26H23N7S and a molecular weight of 465.59 g/mol. Its IUPAC name is 1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine
PubChem CID158243749
Molecular FormulaC26H23N7S
Molecular Weight465.59 g/mol
Exact Mass465.17
IUPAC Name1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine
SMILESCc1ccc(-c2cnc(-c3cccc(CN(Cc4ncccn4)Cc4ncccn4)n3)s2)cc1
InChIInChI=1S/C26H23N7S/c1-19-7-9-20(10-8-19)23-15-31-26(34-23)22-6-2-5-21(32-22)16-33(17-24-27-11-3-12-28-24)18-25-29-13-4-14-30-25/h2-15H,16-18H2,1H3
InChIKeyOJISYIIYNZTGMJ-UHFFFAOYSA-N
XLogP4.96
TPSA80.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine?
The IUPAC name of 1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine (CID 158243749) is 1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine is Cc1ccc(-c2cnc(-c3cccc(CN(Cc4ncccn4)Cc4ncccn4)n3)s2)cc1.
What is the InChIKey of 1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine?
The InChIKey is OJISYIIYNZTGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7S/c1-19-7-9-20(10-8-19)23-15-31-26(34-23)22-6-2-5-21(32-22)16-33(17-24-27-11-3-12-28-24)18-25-29-13-4-14-30-25/h2-15H,16-18H2,1H3.
What are the key properties of 1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine?
1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine has a molecular weight of 465.59 g/mol, XLogP of 4.96, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine is sourced from PubChem (CID 158243749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).