3-[(2-methylpyrrolidin-2-yl)methyl]-1,2,5-thiadiazole

C8H13N3S — CID 130927635

IUPAC3-[(2-methylpyrrolidin-2-yl)methyl]-1,2,5-thiadiazole
SMILESCC1(Cc2cnsn2)CCCN1
InChIInChI=1S/C8H13N3S/c1-8(3-2-4-9-8)5-7-6-10-12-11-7/h6,9H,2-5H2,1H3
InChIKeyYTGZKGAJMCMFJO-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.22
Rot. Bonds2

About 3-[(2-methylpyrrolidin-2-yl)methyl]-1,2,5-thiadiazole

3-[(2-methylpyrrolidin-2-yl)methyl]-1,2,5-thiadiazole (PubChem CID 130927635) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 3-[(2-methylpyrrolidin-2-yl)methyl]-1,2,5-thiadiazole.

Molecular Properties

Compound Name3-[(2-methylpyrrolidin-2-yl)methyl]-1,2,5-thiadiazole
PubChem CID130927635
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name3-[(2-methylpyrrolidin-2-yl)methyl]-1,2,5-thiadiazole
SMILESCC1(Cc2cnsn2)CCCN1
InChIInChI=1S/C8H13N3S/c1-8(3-2-4-9-8)5-7-6-10-12-11-7/h6,9H,2-5H2,1H3
InChIKeyYTGZKGAJMCMFJO-UHFFFAOYSA-N
XLogP1.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methylpyrrolidin-2-yl)methyl]pyridine
CID 66465987
(2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine
CID 124511306
2-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]-1,3-thiazole
CID 104688040
3-[[1-(chloromethyl)cyclobutyl]methyl]-1,2,5-thiadiazole
CID 130871474
(2S)-2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine
CID 124515557
(2S)-2-methyl-2-[(3,4,5-trifluorophenyl)methyl]pyrrolidine
CID 124575827
3-ethyl-1-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
CID 66465542
2-methyl-2-(pyridin-2-ylmethyl)azepane
CID 79118895
1,3-diethyl-5-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
CID 66465543
2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine
CID 82923443
2-[(5-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine
CID 66466900
1-[4-[(2-methylpyrrolidin-2-yl)methyl]phenyl]pyrazole
CID 113441459

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpyrrolidin-2-yl)methyl]-1,2,5-thiadiazole?
The IUPAC name of 3-[(2-methylpyrrolidin-2-yl)methyl]-1,2,5-thiadiazole (CID 130927635) is 3-[(2-methylpyrrolidin-2-yl)methyl]-1,2,5-thiadiazole.
What is the SMILES notation for 3-[(2-methylpyrrolidin-2-yl)methyl]-1,2,5-thiadiazole?
The canonical SMILES for 3-[(2-methylpyrrolidin-2-yl)methyl]-1,2,5-thiadiazole is CC1(Cc2cnsn2)CCCN1.
What is the InChIKey of 3-[(2-methylpyrrolidin-2-yl)methyl]-1,2,5-thiadiazole?
The InChIKey is YTGZKGAJMCMFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-8(3-2-4-9-8)5-7-6-10-12-11-7/h6,9H,2-5H2,1H3.
What are the key properties of 3-[(2-methylpyrrolidin-2-yl)methyl]-1,2,5-thiadiazole?
3-[(2-methylpyrrolidin-2-yl)methyl]-1,2,5-thiadiazole has a molecular weight of 183.28 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpyrrolidin-2-yl)methyl]-1,2,5-thiadiazole is sourced from PubChem (CID 130927635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).