[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone

C18H24N4O2S — CID 156606912

IUPAC[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)N1CC(c2ccc(OC)cc2)C(N(C)C)C1
InChIInChI=1S/C18H24N4O2S/c1-5-15-17(25-20-19-15)18(23)22-10-14(16(11-22)21(2)3)12-6-8-13(24-4)9-7-12/h6-9,14,16H,5,10-11H2,1-4H3
InChIKeyLIDCXKOHKOTRFJ-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.28
Rot. Bonds5

About [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone

[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone (PubChem CID 156606912) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
PubChem CID156606912
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
SMILESCCc1nnsc1C(=O)N1CC(c2ccc(OC)cc2)C(N(C)C)C1
InChIInChI=1S/C18H24N4O2S/c1-5-15-17(25-20-19-15)18(23)22-10-14(16(11-22)21(2)3)12-6-8-13(24-4)9-7-12/h6-9,14,16H,5,10-11H2,1-4H3
InChIKeyLIDCXKOHKOTRFJ-UHFFFAOYSA-N
XLogP2.28
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 156604067
1-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 156606635
[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 156606417
3-[2-[(3S,4R)-3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 72900722
1-[3-[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrimidine-2,4-dione
CID 156604654
(4-ethylthiadiazol-5-yl)-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]methanone
CID 95583727
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 110107932
2-[(3S,4R)-3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 72893791
[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 128968786
methyl 1-(4-ethylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 78919199
(3S)-1-(4-ethylthiadiazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 124512511
(4-ethylthiadiazol-5-yl)-(7-methoxy-3-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 126778682

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The IUPAC name of [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone (CID 156606912) is [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone is CCc1nnsc1C(=O)N1CC(c2ccc(OC)cc2)C(N(C)C)C1.
What is the InChIKey of [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
The InChIKey is LIDCXKOHKOTRFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-5-15-17(25-20-19-15)18(23)22-10-14(16(11-22)21(2)3)12-6-8-13(24-4)9-7-12/h6-9,14,16H,5,10-11H2,1-4H3.
What are the key properties of [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone?
[3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone has a molecular weight of 360.48 g/mol, XLogP of 2.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-4-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone is sourced from PubChem (CID 156606912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).