(3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone

C10H16N4O2S — CID 80617390

IUPAC(3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
SMILESCCCNc1nnc(C(=O)N2CCC(O)C2)s1
InChIInChI=1S/C10H16N4O2S/c1-2-4-11-10-13-12-8(17-10)9(16)14-5-3-7(15)6-14/h7,15H,2-6H2,1H3,(H,11,13)
InChIKeyWFMRJHOSCIZKHV-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.57
Rot. Bonds4

About (3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone

(3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone (PubChem CID 80617390) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
PubChem CID80617390
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name(3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
SMILESCCCNc1nnc(C(=O)N2CCC(O)C2)s1
InChIInChI=1S/C10H16N4O2S/c1-2-4-11-10-13-12-8(17-10)9(16)14-5-3-7(15)6-14/h7,15H,2-6H2,1H3,(H,11,13)
InChIKeyWFMRJHOSCIZKHV-UHFFFAOYSA-N
XLogP0.57
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 102964764
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 114681692
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 114799849
[5-(propylamino)-1,3,4-thiadiazol-2-yl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 80619244
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 115561682
[5-(ethylamino)-1,3,4-thiadiazol-2-yl]-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 80619246
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616088
N-(4-ethylcyclohexyl)-5-(propylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80616011
(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
[4-(cyclopropylmethyl)piperazin-1-yl]-[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methanone
CID 80616318
(3-hydroxypyrrolidin-1-yl)-[6-methyl-4-(propylamino)-3-pyridinyl]methanone
CID 81239972

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone (CID 80617390) is (3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone is CCCNc1nnc(C(=O)N2CCC(O)C2)s1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone?
The InChIKey is WFMRJHOSCIZKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-2-4-11-10-13-12-8(17-10)9(16)14-5-3-7(15)6-14/h7,15H,2-6H2,1H3,(H,11,13).
What are the key properties of (3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone?
(3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone has a molecular weight of 256.33 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-[5-(propylamino)-1,3,4-thiadiazol-2-yl]methanone is sourced from PubChem (CID 80617390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).