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

C13H20N4S — CID 65271457

IUPAC3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESC1CN(C2CC2)CC1CNc1nc(C2CC2)ns1
InChIInChI=1S/C13H20N4S/c1-2-10(1)12-15-13(18-16-12)14-7-9-5-6-17(8-9)11-3-4-11/h9-11H,1-8H2,(H,14,15,16)
InChIKeySIRBUWXZEUTGKE-UHFFFAOYSA-N
MW264.40 g/mol
LogP2.31
Rot. Bonds5

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

3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 65271457) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is 3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID65271457
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC Name3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESC1CN(C2CC2)CC1CNc1nc(C2CC2)ns1
InChIInChI=1S/C13H20N4S/c1-2-10(1)12-15-13(18-16-12)14-7-9-5-6-17(8-9)11-3-4-11/h9-11H,1-8H2,(H,14,15,16)
InChIKeySIRBUWXZEUTGKE-UHFFFAOYSA-N
XLogP2.31
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65169165
3-cyclopropyl-N-[(2,2-dimethylcyclopropyl)methyl]-1,2,4-thiadiazol-5-amine
CID 103736534
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methylpropane-1,2-diamine
CID 115303698
3-cyclopropyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276548
3-cyclopropyl-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)propyl]-1,2,4-thiadiazol-5-amine
CID 133434429
N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 97161055
3-cyclopropyl-N-(morpholin-3-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 103549183
1-N-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)propane-1,2-diamine
CID 65275684
3-tert-butyl-N-[[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 97052697
N-tert-butyl-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 65268446
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylpyrimidin-2-amine
CID 62959994
3-cyclopropyl-N-(3-piperazin-1-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 65276194

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 65271457) is 3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine is C1CN(C2CC2)CC1CNc1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is SIRBUWXZEUTGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4S/c1-2-10(1)12-15-13(18-16-12)14-7-9-5-6-17(8-9)11-3-4-11/h9-11H,1-8H2,(H,14,15,16).
What are the key properties of 3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 264.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65271457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).