1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine

C8H13ClN4S — CID 115300700

IUPAC1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2nnc(Cl)s2)C1
InChIInChI=1S/C8H13ClN4S/c1-10-6-2-3-13(4-6)5-7-11-12-8(9)14-7/h6,10H,2-5H2,1H3
InChIKeyMHFPIUPMTIMANO-UHFFFAOYSA-N
MW232.74 g/mol
LogP0.99
Rot. Bonds3

About 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine

1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine (PubChem CID 115300700) has the molecular formula C8H13ClN4S and a molecular weight of 232.74 g/mol. Its IUPAC name is 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
PubChem CID115300700
Molecular FormulaC8H13ClN4S
Molecular Weight232.74 g/mol
Exact Mass232.05
IUPAC Name1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(Cc2nnc(Cl)s2)C1
InChIInChI=1S/C8H13ClN4S/c1-10-6-2-3-13(4-6)5-7-11-12-8(9)14-7/h6,10H,2-5H2,1H3
InChIKeyMHFPIUPMTIMANO-UHFFFAOYSA-N
XLogP0.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.74
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 80609765
2-[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-4-yl]-N-methylethanamine
CID 80606353
N-[[1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidin-3-yl]methyl]propan-2-amine
CID 80606645
4-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-2,6-dimethylthiomorpholine
CID 80610456
2-chloro-5-[(3,5-dimethylpiperidin-1-yl)methyl]-1,3,4-thiadiazole
CID 80611144
2-chloro-5-[(4-cyclopropylpiperazin-1-yl)methyl]-1,3,4-thiadiazole
CID 80610856
1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]piperidine-3-carboxamide
CID 80611271
N-methyl-1-(thiadiazol-4-ylmethyl)pyrrolidin-3-amine
CID 130167577
1-[(4-aminophenyl)methyl]-N-methylpyrrolidin-3-amine
CID 126490088
1-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 113281984
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methylpyrrolidin-3-amine
CID 81493821

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine (CID 115300700) is 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine is CNC1CCN(Cc2nnc(Cl)s2)C1.
What is the InChIKey of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?
The InChIKey is MHFPIUPMTIMANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4S/c1-10-6-2-3-13(4-6)5-7-11-12-8(9)14-7/h6,10H,2-5H2,1H3.
What are the key properties of 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine?
1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine has a molecular weight of 232.74 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1,3,4-thiadiazol-2-yl)methyl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 115300700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).