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

C29H31N7OS — CID 142497566

IUPAC1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;propane
SMILESCCC.COc1ccc(-c2cnc(-c3cccc(CN(Cc4ncccn4)Cc4ncccn4)n3)s2)cc1
InChIInChI=1S/C26H23N7OS.C3H8/c1-34-21-9-7-19(8-10-21)23-15-31-26(35-23)22-6-2-5-20(32-22)16-33(17-24-27-11-3-12-28-24)18-25-29-13-4-14-30-25;1-3-2/h2-15H,16-18H2,1H3;3H2,1-2H3
InChIKeyWXSFXLCQWGRGMH-UHFFFAOYSA-N
MW525.68 g/mol
LogP6.08
Rot. Bonds9

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

1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;propane (PubChem CID 142497566) has the molecular formula C29H31N7OS and a molecular weight of 525.68 g/mol. Its IUPAC name is 1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;propane.

Molecular Properties

Compound Name1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;propane
PubChem CID142497566
Molecular FormulaC29H31N7OS
Molecular Weight525.68 g/mol
Exact Mass525.23
IUPAC Name1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;propane
SMILESCCC.COc1ccc(-c2cnc(-c3cccc(CN(Cc4ncccn4)Cc4ncccn4)n3)s2)cc1
InChIInChI=1S/C26H23N7OS.C3H8/c1-34-21-9-7-19(8-10-21)23-15-31-26(35-23)22-6-2-5-20(32-22)16-33(17-24-27-11-3-12-28-24)18-25-29-13-4-14-30-25;1-3-2/h2-15H,16-18H2,1H3;3H2,1-2H3
InChIKeyWXSFXLCQWGRGMH-UHFFFAOYSA-N
XLogP6.08
TPSA89.81 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.68
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine
CID 158243749
1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-5-ylmethyl)methanamine
CID 146606118
6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carbaldehyde;1-[6-[5-(4-methylphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyridin-2-ylmethyl)methanamine;1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 159907913
5-(4-methoxyphenyl)-2-pyridin-4-yl-1,3-thiazole
CID 14531637
2-[[2-[bis[(4-carboxy-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylic acid
CID 155601174
methyl 2-[[2-[(4-acetyl-2-pyridinyl)methyl-[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate
CID 170209617
2-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
CID 59693441
hexasodium;2-[[2-[bis[(4-carboxylato-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;4-[2-[6-[[bis(pyrimidin-2-ylmethyl)amino]methyl]-2-pyridinyl]-1,3-thiazol-5-yl]-N-propylaniline;2-[[(4-carboxylato-2-pyridinyl)methyl-[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl]amino]methyl]pyridine-4-carboxylate;N,N-dimethyl-4-(2-pyridin-2-yl-1,3-thiazol-5-yl)aniline;2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;5-[5-(4-methoxyphenyl)thiophen-2-yl]-2-pyridin-2-yl-1,3-thiazole;methyl 2-[[2-[bis[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]ethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-hydroxyethyl-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl]amino]methyl]pyridine-4-carboxylate;methyl 2-[[2-[[6-[5-[4-(hydroxymethyl)phenyl]-1,3-thiazol-2-yl]-2-pyridinyl]methyl-methylamino]ethyl-[(4-methoxycarbonyl-2-pyridinyl)methyl]amino]methyl]pyridine-4-carboxylate;1-[6-[5-(1-propyl-2,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine
CID 158397089
N-ethyl-5-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 116811972
1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 57459973
5-methoxy-2-pyridin-2-ylpyridine
CID 604153
2-chloro-5-[4-(4-methoxyphenyl)phenyl]-1,3-thiazole
CID 21408740

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-2-ylmethyl)methanamine;propane?
The IUPAC name of 1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;propane (CID 142497566) is 1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;propane.
What is the SMILES notation for 1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;propane?
The canonical SMILES for 1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;propane is CCC.COc1ccc(-c2cnc(-c3cccc(CN(Cc4ncccn4)Cc4ncccn4)n3)s2)cc1.
What is the InChIKey of 1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;propane?
The InChIKey is WXSFXLCQWGRGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7OS.C3H8/c1-34-21-9-7-19(8-10-21)23-15-31-26(35-23)22-6-2-5-20(32-22)16-33(17-24-27-11-3-12-28-24)18-25-29-13-4-14-30-25;1-3-2/h2-15H,16-18H2,1H3;3H2,1-2H3.
What are the key properties of 1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;propane?
1-[6-[5-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-pyridinyl]-N,N-bis(pyrimidin-2-ylmethyl)methanamine;propane has a molecular weight of 525.68 g/mol, XLogP of 6.08, 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-2-ylmethyl)methanamine;propane is sourced from PubChem (CID 142497566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).