1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine

C9H16N4S — CID 115905144

IUPAC1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
SMILESCN1CCCC1CNCc1csnn1
InChIInChI=1S/C9H16N4S/c1-13-4-2-3-9(13)6-10-5-8-7-14-12-11-8/h7,9-10H,2-6H2,1H3
InChIKeyVVNWXZXDLMRMTF-UHFFFAOYSA-N
MW212.32 g/mol
LogP0.72
Rot. Bonds4

About 1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine

1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine (PubChem CID 115905144) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
PubChem CID115905144
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
SMILESCN1CCCC1CNCc1csnn1
InChIInChI=1S/C9H16N4S/c1-13-4-2-3-9(13)6-10-5-8-7-14-12-11-8/h7,9-10H,2-6H2,1H3
InChIKeyVVNWXZXDLMRMTF-UHFFFAOYSA-N
XLogP0.72
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-[2-[(thiadiazol-4-ylmethylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126930784
N-[(5-methyl-2-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115698907
1-(1-methylpiperidin-2-yl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106895129
1-(1-methylpyrrolidin-2-yl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 106025646
1-(1-methylpyrrolidin-2-yl)-N-(thiophen-3-ylmethyl)methanamine;hydrochloride
CID 115593273
1-[(2S)-1-methylpyrrolidin-2-yl]-N-(quinolin-2-ylmethyl)methanamine
CID 58622263
2-pyrrolidin-1-yl-N-(thiadiazol-4-ylmethyl)ethanamine
CID 43663994
4-[[(1-methylpyrrolidin-2-yl)methylamino]methyl]benzene-1,2,3-triol
CID 113357812
1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64770922
1-(1,1-dioxothiolan-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine
CID 81038527
N-[(6-chloro-3-pyridinyl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 115683653
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 106025024

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine?
The IUPAC name of 1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine (CID 115905144) is 1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine.
What is the SMILES notation for 1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine?
The canonical SMILES for 1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine is CN1CCCC1CNCc1csnn1.
What is the InChIKey of 1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine?
The InChIKey is VVNWXZXDLMRMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-13-4-2-3-9(13)6-10-5-8-7-14-12-11-8/h7,9-10H,2-6H2,1H3.
What are the key properties of 1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine?
1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine has a molecular weight of 212.32 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-2-yl)-N-(thiadiazol-4-ylmethyl)methanamine is sourced from PubChem (CID 115905144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).