N-methyl-2-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide

C26H20N4O2S — CID 56596179

IUPACN-methyl-2-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(-c2cccnc2)n1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C26H20N4O2S/c1-30(26(31)24-17-33-25(29-24)19-6-4-14-27-15-19)21-10-12-22(13-11-21)32-16-20-9-8-18-5-2-3-7-23(18)28-20/h2-15,17H,16H2,1H3
InChIKeyYZMAZHXYLLTXNR-UHFFFAOYSA-N
MW452.54 g/mol
LogP5.61
Rot. Bonds6

About N-methyl-2-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide

N-methyl-2-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 56596179) has the molecular formula C26H20N4O2S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-methyl-2-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-2-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID56596179
Molecular FormulaC26H20N4O2S
Molecular Weight452.54 g/mol
Exact Mass452.13
IUPAC NameN-methyl-2-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide
SMILESCN(C(=O)c1csc(-c2cccnc2)n1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C26H20N4O2S/c1-30(26(31)24-17-33-25(29-24)19-6-4-14-27-15-19)21-10-12-22(13-11-21)32-16-20-9-8-18-5-2-3-7-23(18)28-20/h2-15,17H,16H2,1H3
InChIKeyYZMAZHXYLLTXNR-UHFFFAOYSA-N
XLogP5.61
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.54
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-methyl-2-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide (CID 56596179) is N-methyl-2-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-methyl-2-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-methyl-2-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide is CN(C(=O)c1csc(-c2cccnc2)n1)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of N-methyl-2-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YZMAZHXYLLTXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O2S/c1-30(26(31)24-17-33-25(29-24)19-6-4-14-27-15-19)21-10-12-22(13-11-21)32-16-20-9-8-18-5-2-3-7-23(18)28-20/h2-15,17H,16H2,1H3.
What are the key properties of N-methyl-2-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide?
N-methyl-2-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 452.54 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-pyridin-3-yl-N-[4-(quinolin-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 56596179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).