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

C26H23N7OS — CID 146606118

IUPAC1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-5-ylmethyl)methanamine
SMILESCOc1ccc(-c2cnc(-c3cccc(CN(Cc4cncnc4)Cc4cncnc4)n3)s2)cc1
InChIInChI=1S/C26H23N7OS/c1-34-23-7-5-21(6-8-23)25-13-31-26(35-25)24-4-2-3-22(32-24)16-33(14-19-9-27-17-28-10-19)15-20-11-29-18-30-12-20/h2-13,17-18H,14-16H2,1H3
InChIKeyVFQDCYZWTRXGSC-UHFFFAOYSA-N
MW481.59 g/mol
LogP4.66
Rot. Bonds9

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

1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-5-ylmethyl)methanamine (PubChem CID 146606118) has the molecular formula C26H23N7OS and a molecular weight of 481.59 g/mol. Its IUPAC name is 1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-5-ylmethyl)methanamine
PubChem CID146606118
Molecular FormulaC26H23N7OS
Molecular Weight481.59 g/mol
Exact Mass481.17
IUPAC Name1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-5-ylmethyl)methanamine
SMILESCOc1ccc(-c2cnc(-c3cccc(CN(Cc4cncnc4)Cc4cncnc4)n3)s2)cc1
InChIInChI=1S/C26H23N7OS/c1-34-23-7-5-21(6-8-23)25-13-31-26(35-25)24-4-2-3-22(32-24)16-33(14-19-9-27-17-28-10-19)15-20-11-29-18-30-12-20/h2-13,17-18H,14-16H2,1H3
InChIKeyVFQDCYZWTRXGSC-UHFFFAOYSA-N
XLogP4.66
TPSA89.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.59
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-5-ylmethyl)methanamine?
The IUPAC name of 1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-5-ylmethyl)methanamine (CID 146606118) is 1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-5-ylmethyl)methanamine.
What is the SMILES notation for 1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-5-ylmethyl)methanamine?
The canonical SMILES for 1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-5-ylmethyl)methanamine is COc1ccc(-c2cnc(-c3cccc(CN(Cc4cncnc4)Cc4cncnc4)n3)s2)cc1.
What is the InChIKey of 1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-5-ylmethyl)methanamine?
The InChIKey is VFQDCYZWTRXGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7OS/c1-34-23-7-5-21(6-8-23)25-13-31-26(35-25)24-4-2-3-22(32-24)16-33(14-19-9-27-17-28-10-19)15-20-11-29-18-30-12-20/h2-13,17-18H,14-16H2,1H3.
What are the key properties of 1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-5-ylmethyl)methanamine?
1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-5-ylmethyl)methanamine has a molecular weight of 481.59 g/mol, XLogP of 4.66, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-5-ylmethyl)methanamine is sourced from PubChem (CID 146606118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).