[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

C9H14N4OS — CID 62067468

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(CN)C1
InChIInChI=1S/C9H14N4OS/c1-6-8(15-12-11-6)9(14)13-3-2-7(4-10)5-13/h7H,2-5,10H2,1H3
InChIKeyCEIQGBXPYRTWLD-UHFFFAOYSA-N
MW226.30 g/mol
LogP0.27
Rot. Bonds2

About [3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone

[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (PubChem CID 62067468) has the molecular formula C9H14N4OS and a molecular weight of 226.30 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
PubChem CID62067468
Molecular FormulaC9H14N4OS
Molecular Weight226.30 g/mol
Exact Mass226.09
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
SMILESCc1nnsc1C(=O)N1CCC(CN)C1
InChIInChI=1S/C9H14N4OS/c1-6-8(15-12-11-6)9(14)13-3-2-7(4-10)5-13/h7H,2-5,10H2,1H3
InChIKeyCEIQGBXPYRTWLD-UHFFFAOYSA-N
XLogP0.27
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(aminomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone;hydrochloride
CID 127266388
[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62347907
[4-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 60958310
(3-aminoazetidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 65244992
[4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 80678677
[3-(hydroxymethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 43403557
(4-hydroxy-3-methylpiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 114680256
1-(4-methylthiadiazole-5-carbonyl)piperidine-3,4-dicarboxylic acid
CID 115918213
(4-bromopiperidin-1-yl)-(4-methylthiadiazol-5-yl)methanone
CID 80661773
[3-(aminomethyl)pyrrolidin-1-yl]-(2-cyclopentyl-4-methyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 119486828
ethyl 1-(4-methylthiadiazole-5-carbonyl)piperidine-4-carboxylate
CID 4519203
[(3S)-3-methylsulfonylpyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 97414875

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone (CID 62067468) is [3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is Cc1nnsc1C(=O)N1CCC(CN)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
The InChIKey is CEIQGBXPYRTWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4OS/c1-6-8(15-12-11-6)9(14)13-3-2-7(4-10)5-13/h7H,2-5,10H2,1H3.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone has a molecular weight of 226.30 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone is sourced from PubChem (CID 62067468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).