N-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiadiazole-4-carboxamide

C16H20N4O2S — CID 75499965

IUPACN-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiadiazole-4-carboxamide
SMILESCOc1ccc(C(CN2CCCC2)NC(=O)c2csnn2)cc1
InChIInChI=1S/C16H20N4O2S/c1-22-13-6-4-12(5-7-13)14(10-20-8-2-3-9-20)17-16(21)15-11-23-19-18-15/h4-7,11,14H,2-3,8-10H2,1H3,(H,17,21)
InChIKeyQJEFNRVDGBMLGI-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.11
Rot. Bonds6

About N-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiadiazole-4-carboxamide

N-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiadiazole-4-carboxamide (PubChem CID 75499965) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiadiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiadiazole-4-carboxamide
PubChem CID75499965
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiadiazole-4-carboxamide
SMILESCOc1ccc(C(CN2CCCC2)NC(=O)c2csnn2)cc1
InChIInChI=1S/C16H20N4O2S/c1-22-13-6-4-12(5-7-13)14(10-20-8-2-3-9-20)17-16(21)15-11-23-19-18-15/h4-7,11,14H,2-3,8-10H2,1H3,(H,17,21)
InChIKeyQJEFNRVDGBMLGI-UHFFFAOYSA-N
XLogP2.11
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]imidazo[1,2-a]pyridine-5-carboxamide
CID 139000639
(1S)-1-(4-methoxyphenyl)-N-methyl-2-pyrrolidin-1-ylethanamine
CID 139630399
1-(4-methoxyphenyl)-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 56645217
3-(azepan-1-yl)-2-(4-methoxyphenyl)propanoic acid
CID 117245121
(1S,2S)-2-amino-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 11652165
2-chloro-3,4-bis[(4-methoxyphenyl)methoxy]-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 58374002
[(1R,2R)-1-hydroxy-1-(4-methoxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]carbamic acid
CID 68513118
(2R)-4-(4-methoxyanilino)-4-oxo-2-(pyrrolidin-1-ylmethyl)butanoic acid
CID 95389057
tert-butyl N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 95617125
2-(azepan-1-yl)-1-(4-methoxyphenyl)ethanol
CID 54944635
2-(3,4-dichlorophenyl)-N-[1-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;hydrobromide
CID 67865145
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96581160

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiadiazole-4-carboxamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiadiazole-4-carboxamide (CID 75499965) is N-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiadiazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiadiazole-4-carboxamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiadiazole-4-carboxamide is COc1ccc(C(CN2CCCC2)NC(=O)c2csnn2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiadiazole-4-carboxamide?
The InChIKey is QJEFNRVDGBMLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-22-13-6-4-12(5-7-13)14(10-20-8-2-3-9-20)17-16(21)15-11-23-19-18-15/h4-7,11,14H,2-3,8-10H2,1H3,(H,17,21).
What are the key properties of N-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiadiazole-4-carboxamide?
N-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiadiazole-4-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]thiadiazole-4-carboxamide is sourced from PubChem (CID 75499965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).