N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylthiadiazole-5-carboxamide

C18H24N4O2S — CID 35578681

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylthiadiazole-5-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2snnc2C)N2CCCCC2)cc1
InChIInChI=1S/C18H24N4O2S/c1-13-17(25-21-20-13)18(23)19-12-16(22-10-4-3-5-11-22)14-6-8-15(24-2)9-7-14/h6-9,16H,3-5,10-12H2,1-2H3,(H,19,23)/t16-/m1/s1
InChIKeyXBVZSPOAKIOZAJ-MRXNPFEDSA-N
MW360.48 g/mol
LogP2.81
Rot. Bonds6

About N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylthiadiazole-5-carboxamide

N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 35578681) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylthiadiazole-5-carboxamide
PubChem CID35578681
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylthiadiazole-5-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2snnc2C)N2CCCCC2)cc1
InChIInChI=1S/C18H24N4O2S/c1-13-17(25-21-20-13)18(23)19-12-16(22-10-4-3-5-11-22)14-6-8-15(24-2)9-7-14/h6-9,16H,3-5,10-12H2,1-2H3,(H,19,23)/t16-/m1/s1
InChIKeyXBVZSPOAKIOZAJ-MRXNPFEDSA-N
XLogP2.81
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24544192
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
4-methyl-N-[(2R)-2-morpholin-4-yl-2-phenylethyl]thiadiazole-5-carboxamide
CID 39730184
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17011758
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiophene-2-carboxamide
CID 17014765
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methyl-2-thiophen-3-yl-1,3-thiazole-5-carboxamide
CID 41291742
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,3-dimethylbenzamide
CID 35047300
N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,4-dimethylbenzamide
CID 25486072
3-amino-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrazine-2-carboxamide
CID 42883480
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyridine-2-carboxamide
CID 46522817

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylthiadiazole-5-carboxamide (CID 35578681) is N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylthiadiazole-5-carboxamide is COc1ccc([C@@H](CNC(=O)c2snnc2C)N2CCCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is XBVZSPOAKIOZAJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-13-17(25-21-20-13)18(23)19-12-16(22-10-4-3-5-11-22)14-6-8-15(24-2)9-7-14/h6-9,16H,3-5,10-12H2,1-2H3,(H,19,23)/t16-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylthiadiazole-5-carboxamide?
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 35578681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).