[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

C12H20N4O2S — CID 80616565

IUPAC[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCCNc1nnc(C(=O)N2CCCC2CCCO)s1
InChIInChI=1S/C12H20N4O2S/c1-2-13-12-15-14-10(19-12)11(18)16-7-3-5-9(16)6-4-8-17/h9,17H,2-8H2,1H3,(H,13,15)
InChIKeyKZCYZZFORPVBOP-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.35
Rot. Bonds6

About [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone

[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (PubChem CID 80616565) has the molecular formula C12H20N4O2S and a molecular weight of 284.38 g/mol. Its IUPAC name is [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
PubChem CID80616565
Molecular FormulaC12H20N4O2S
Molecular Weight284.38 g/mol
Exact Mass284.13
IUPAC Name[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
SMILESCCNc1nnc(C(=O)N2CCCC2CCCO)s1
InChIInChI=1S/C12H20N4O2S/c1-2-13-12-15-14-10(19-12)11(18)16-7-3-5-9(16)6-4-8-17/h9,17H,2-8H2,1H3,(H,13,15)
InChIKeyKZCYZZFORPVBOP-UHFFFAOYSA-N
XLogP1.35
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 80623651
(2-ethylpiperidin-1-yl)-[5-(methylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80615804
[5-(ethylamino)-2-pyridinyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 104641130
[2-(ethylamino)phenyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62479621
(4-tert-butylazepan-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80618084
(4-cyclopentylpiperazin-1-yl)-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80619747
(3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103932935
[4-(cyclopropylmethyl)piperazin-1-yl]-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80616318
3-ethyl-4-[5-(ethylamino)-1,3,4-thiadiazole-2-carbonyl]piperazin-2-one
CID 80616748
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 62466811
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 62479974
[4-amino-2-(dimethylamino)-1,3-thiazol-5-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 116665413

Frequently Asked Questions

What is the IUPAC name of [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone (CID 80616565) is [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is CCNc1nnc(C(=O)N2CCCC2CCCO)s1.
What is the InChIKey of [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
The InChIKey is KZCYZZFORPVBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2S/c1-2-13-12-15-14-10(19-12)11(18)16-7-3-5-9(16)6-4-8-17/h9,17H,2-8H2,1H3,(H,13,15).
What are the key properties of [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone?
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone has a molecular weight of 284.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(ethylamino)-1,3,4-thiadiazol-2-yl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 80616565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).