1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine

C11H18N4S — CID 65280462

IUPAC1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C11H18N4S/c1-12-7-9-3-2-6-15(9)11-13-10(14-16-11)8-4-5-8/h8-9,12H,2-7H2,1H3
InChIKeyDCZFZDVTDFUUSH-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.60
Rot. Bonds4

About 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine

1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine (PubChem CID 65280462) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine
PubChem CID65280462
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine
SMILESCNCC1CCCN1c1nc(C2CC2)ns1
InChIInChI=1S/C11H18N4S/c1-12-7-9-3-2-6-15(9)11-13-10(14-16-11)8-4-5-8/h8-9,12H,2-7H2,1H3
InChIKeyDCZFZDVTDFUUSH-UHFFFAOYSA-N
XLogP1.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol
CID 65274940
N-[[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 65280581
1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)piperidin-3-yl]-N-methylmethanamine
CID 65276256
1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-N-methylpiperidin-3-amine
CID 65276097
2-methyl-N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]propan-1-amine
CID 107305948
N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pyrrolidin-2-yl]methyl]cyclopropanamine
CID 107305944
5-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-3-cyclopropyl-1,2,4-thiadiazole
CID 103198225
5-[(2R)-2-(fluoromethyl)pyrrolidin-1-yl]-3-methyl-1,2,4-thiadiazole
CID 125143605
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 65272981
2-methyl-N-[[1-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]piperidin-2-yl]methyl]propan-2-amine
CID 107305954
N-methyl-1-[4-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]morpholin-3-yl]methanamine
CID 107305975
N-[[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-2-yl]methyl]methanesulfonamide
CID 154736702

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine (CID 65280462) is 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine is CNCC1CCCN1c1nc(C2CC2)ns1.
What is the InChIKey of 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine?
The InChIKey is DCZFZDVTDFUUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-12-7-9-3-2-6-15(9)11-13-10(14-16-11)8-4-5-8/h8-9,12H,2-7H2,1H3.
What are the key properties of 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine?
1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine has a molecular weight of 238.36 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-N-methylmethanamine is sourced from PubChem (CID 65280462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).