N-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

C27H29N5O3S — CID 143650486

IUPACN-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NCC3(c4n[nH]c(=O)s4)CCN(C)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C27H29N5O3S/c1-18-15-20(22-5-3-4-6-23(22)29-18)16-35-21-9-7-19(8-10-21)24(33)28-17-27(11-13-32(2)14-12-27)25-30-31-26(34)36-25/h3-10,15H,11-14,16-17H2,1-2H3,(H,28,33)(H,31,34)
InChIKeyLMXHXTNBVNTFHO-UHFFFAOYSA-N
MW503.63 g/mol
LogP3.66
Rot. Bonds7

About N-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

N-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 143650486) has the molecular formula C27H29N5O3S and a molecular weight of 503.63 g/mol. Its IUPAC name is N-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
PubChem CID143650486
Molecular FormulaC27H29N5O3S
Molecular Weight503.63 g/mol
Exact Mass503.20
IUPAC NameN-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
SMILESCc1cc(COc2ccc(C(=O)NCC3(c4n[nH]c(=O)s4)CCN(C)CC3)cc2)c2ccccc2n1
InChIInChI=1S/C27H29N5O3S/c1-18-15-20(22-5-3-4-6-23(22)29-18)16-35-21-9-7-19(8-10-21)24(33)28-17-27(11-13-32(2)14-12-27)25-30-31-26(34)36-25/h3-10,15H,11-14,16-17H2,1-2H3,(H,28,33)(H,31,34)
InChIKeyLMXHXTNBVNTFHO-UHFFFAOYSA-N
XLogP3.66
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.63
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[5-(1-methylpiperidin-4-yl)-2,4,6-trioxo-1,3-diazinan-5-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 10218128
4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)-2-phenylethyl]benzamide
CID 143650504
2-amino-2-(hydroxymethyl)propane-1,3-diol;N-[[5-(4-methylpiperazin-1-yl)-2,4,6-trioxo-1,3-diazinan-5-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 70036737
4-[(2-methylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclobutyl]benzamide
CID 143650607
4-[(2-methylquinolin-4-yl)methoxy]-N-[6-(2-oxo-3H-1,3,4-thiadiazol-5-yl)cyclohex-3-en-1-yl]benzamide
CID 143650546
N-[1-benzoyl-3-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 143650481
4-[(2-methylquinolin-4-yl)methoxy]benzoic acid
CID 22032775
N-[5-anilino-5-oxo-1-(2-oxo-3H-1,3,4-thiadiazol-5-yl)pentan-2-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 143651052
4-[(2,5-dimethylquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide
CID 143651192
(2S)-2-(4-ethylpiperazin-1-yl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]propanoic acid
CID 67056976
4-[(2-methoxyquinolin-4-yl)methoxy]-N-[2-(2-oxo-3H-1,3,4-thiadiazol-5-yl)ethyl]benzamide
CID 143650677
N-[4-[2-(hydroxyamino)-2-oxoethyl]-1,3-dimethylpiperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
CID 18379440

Frequently Asked Questions

What is the IUPAC name of N-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The IUPAC name of N-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 143650486) is N-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The canonical SMILES for N-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is Cc1cc(COc2ccc(C(=O)NCC3(c4n[nH]c(=O)s4)CCN(C)CC3)cc2)c2ccccc2n1.
What is the InChIKey of N-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
The InChIKey is LMXHXTNBVNTFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3S/c1-18-15-20(22-5-3-4-6-23(22)29-18)16-35-21-9-7-19(8-10-21)24(33)28-17-27(11-13-32(2)14-12-27)25-30-31-26(34)36-25/h3-10,15H,11-14,16-17H2,1-2H3,(H,28,33)(H,31,34).
What are the key properties of N-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?
N-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 503.63 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-methyl-4-(2-oxo-3H-1,3,4-thiadiazol-5-yl)piperidin-4-yl]methyl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 143650486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).