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

C8H12N4OS — CID 65216006

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone
SMILESNCC1CCN(C(=O)c2csnn2)C1
InChIInChI=1S/C8H12N4OS/c9-3-6-1-2-12(4-6)8(13)7-5-14-11-10-7/h5-6H,1-4,9H2
InChIKeyVIBUTFLHVSIXFQ-UHFFFAOYSA-N
MW212.28 g/mol
LogP-0.04
Rot. Bonds2

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

[3-(aminomethyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone (PubChem CID 65216006) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone
PubChem CID65216006
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone
SMILESNCC1CCN(C(=O)c2csnn2)C1
InChIInChI=1S/C8H12N4OS/c9-3-6-1-2-12(4-6)8(13)7-5-14-11-10-7/h5-6H,1-4,9H2
InChIKeyVIBUTFLHVSIXFQ-UHFFFAOYSA-N
XLogP-0.04
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone (CID 65216006) is [3-(aminomethyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone is NCC1CCN(C(=O)c2csnn2)C1.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone?
The InChIKey is VIBUTFLHVSIXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c9-3-6-1-2-12(4-6)8(13)7-5-14-11-10-7/h5-6H,1-4,9H2.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(thiadiazol-4-yl)methanone has a molecular weight of 212.28 g/mol, XLogP of -0.04, 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]-(thiadiazol-4-yl)methanone is sourced from PubChem (CID 65216006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).