N-[[1-(1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine

C10H18N4S — CID 65280147

IUPACN-[[1-(1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN1c1ncns1
InChIInChI=1S/C10H18N4S/c1-8(2)11-6-9-4-3-5-14(9)10-12-7-13-15-10/h7-9,11H,3-6H2,1-2H3
InChIKeyWYGVADMRSRHGEF-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.50
Rot. Bonds4

About N-[[1-(1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine

N-[[1-(1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine (PubChem CID 65280147) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is N-[[1-(1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine
PubChem CID65280147
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC NameN-[[1-(1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCCN1c1ncns1
InChIInChI=1S/C10H18N4S/c1-8(2)11-6-9-4-3-5-14(9)10-12-7-13-15-10/h7-9,11H,3-6H2,1-2H3
InChIKeyWYGVADMRSRHGEF-UHFFFAOYSA-N
XLogP1.50
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine (CID 65280147) is N-[[1-(1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine is CC(C)NCC1CCCN1c1ncns1.
What is the InChIKey of N-[[1-(1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
The InChIKey is WYGVADMRSRHGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-8(2)11-6-9-4-3-5-14(9)10-12-7-13-15-10/h7-9,11H,3-6H2,1-2H3.
What are the key properties of N-[[1-(1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine?
N-[[1-(1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine has a molecular weight of 226.35 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 65280147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).