N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)thiadiazol-5-amine

C9H14N4S — CID 107649128

IUPACN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)thiadiazol-5-amine
SMILESc1nnsc1NC1CCN2CCCC12
InChIInChI=1S/C9H14N4S/c1-2-8-7(3-5-13(8)4-1)11-9-6-10-12-14-9/h6-8,11H,1-5H2
InChIKeyYSYCUHJJPNLCDQ-UHFFFAOYSA-N
MW210.31 g/mol
LogP1.19
Rot. Bonds2

About N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)thiadiazol-5-amine

N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)thiadiazol-5-amine (PubChem CID 107649128) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)thiadiazol-5-amine.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)thiadiazol-5-amine
PubChem CID107649128
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)thiadiazol-5-amine
SMILESc1nnsc1NC1CCN2CCCC12
InChIInChI=1S/C9H14N4S/c1-2-8-7(3-5-13(8)4-1)11-9-6-10-12-14-9/h6-8,11H,1-5H2
InChIKeyYSYCUHJJPNLCDQ-UHFFFAOYSA-N
XLogP1.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-pyridazin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62482243
(1S,8aR)-N-(5-chloropyrimidin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 97159889
N-(3,4-dichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853706
N-(4-bromophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853442
N-(1-methylimidazol-2-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 62133317
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)formamide
CID 64992652
N-(2,4,5-trichlorophenyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82853439
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine
CID 80653240
N-(1,3-dimethylpyrazol-4-yl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 102804021
N-(2,4-dimethyl-3-pyridinyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 112741845
5-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,4-thiadiazole-3,5-diamine
CID 66279217
5-chloro-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,3-benzothiazol-4-amine
CID 82853450

Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)thiadiazol-5-amine?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)thiadiazol-5-amine (CID 107649128) is N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)thiadiazol-5-amine.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)thiadiazol-5-amine?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)thiadiazol-5-amine is c1nnsc1NC1CCN2CCCC12.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)thiadiazol-5-amine?
The InChIKey is YSYCUHJJPNLCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-2-8-7(3-5-13(8)4-1)11-9-6-10-12-14-9/h6-8,11H,1-5H2.
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)thiadiazol-5-amine?
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)thiadiazol-5-amine has a molecular weight of 210.31 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)thiadiazol-5-amine is sourced from PubChem (CID 107649128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).