N-pyrrolidin-3-yl-1,2,5-thiadiazol-3-amine;dihydrochloride

C6H12Cl2N4S — CID 121209240

IUPACN-pyrrolidin-3-yl-1,2,5-thiadiazol-3-amine;dihydrochloride
SMILESCl.Cl.c1nsnc1NC1CCNC1
InChIInChI=1S/C6H10N4S.2ClH/c1-2-7-3-5(1)9-6-4-8-11-10-6;;/h4-5,7H,1-3H2,(H,9,10);2*1H
InChIKeyUSYMBSXEKKZLEA-UHFFFAOYSA-N
MW243.16 g/mol
LogP1.16
Rot. Bonds2

About N-pyrrolidin-3-yl-1,2,5-thiadiazol-3-amine;dihydrochloride

N-pyrrolidin-3-yl-1,2,5-thiadiazol-3-amine;dihydrochloride (PubChem CID 121209240) has the molecular formula C6H12Cl2N4S and a molecular weight of 243.16 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-1,2,5-thiadiazol-3-amine;dihydrochloride.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-1,2,5-thiadiazol-3-amine;dihydrochloride
PubChem CID121209240
Molecular FormulaC6H12Cl2N4S
Molecular Weight243.16 g/mol
Exact Mass242.02
IUPAC NameN-pyrrolidin-3-yl-1,2,5-thiadiazol-3-amine;dihydrochloride
SMILESCl.Cl.c1nsnc1NC1CCNC1
InChIInChI=1S/C6H10N4S.2ClH/c1-2-7-3-5(1)9-6-4-8-11-10-6;;/h4-5,7H,1-3H2,(H,9,10);2*1H
InChIKeyUSYMBSXEKKZLEA-UHFFFAOYSA-N
XLogP1.16
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.16
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-1,2,5-thiadiazol-3-amine;dihydrochloride?
The IUPAC name of N-pyrrolidin-3-yl-1,2,5-thiadiazol-3-amine;dihydrochloride (CID 121209240) is N-pyrrolidin-3-yl-1,2,5-thiadiazol-3-amine;dihydrochloride.
What is the SMILES notation for N-pyrrolidin-3-yl-1,2,5-thiadiazol-3-amine;dihydrochloride?
The canonical SMILES for N-pyrrolidin-3-yl-1,2,5-thiadiazol-3-amine;dihydrochloride is Cl.Cl.c1nsnc1NC1CCNC1.
What is the InChIKey of N-pyrrolidin-3-yl-1,2,5-thiadiazol-3-amine;dihydrochloride?
The InChIKey is USYMBSXEKKZLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S.2ClH/c1-2-7-3-5(1)9-6-4-8-11-10-6;;/h4-5,7H,1-3H2,(H,9,10);2*1H.
What are the key properties of N-pyrrolidin-3-yl-1,2,5-thiadiazol-3-amine;dihydrochloride?
N-pyrrolidin-3-yl-1,2,5-thiadiazol-3-amine;dihydrochloride has a molecular weight of 243.16 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-1,2,5-thiadiazol-3-amine;dihydrochloride is sourced from PubChem (CID 121209240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).