N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine

C13H20N4S — CID 97161055

IUPACN-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESC1C[C@@H]2C[C@@H](Nc3nc(C4CC4)ns3)CCN2C1
InChIInChI=1S/C13H20N4S/c1-2-11-8-10(5-7-17(11)6-1)14-13-15-12(16-18-13)9-3-4-9/h9-11H,1-8H2,(H,14,15,16)/t10-,11+/m0/s1
InChIKeyDPNINKLXPUIJHX-WDEREUQCSA-N
MW264.40 g/mol
LogP2.45
Rot. Bonds3

About N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine

N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (PubChem CID 97161055) has the molecular formula C13H20N4S and a molecular weight of 264.40 g/mol. Its IUPAC name is N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
PubChem CID97161055
Molecular FormulaC13H20N4S
Molecular Weight264.40 g/mol
Exact Mass264.14
IUPAC NameN-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
SMILESC1C[C@@H]2C[C@@H](Nc3nc(C4CC4)ns3)CCN2C1
InChIInChI=1S/C13H20N4S/c1-2-11-8-10(5-7-17(11)6-1)14-13-15-12(16-18-13)9-3-4-9/h9-11H,1-8H2,(H,14,15,16)/t10-,11+/m0/s1
InChIKeyDPNINKLXPUIJHX-WDEREUQCSA-N
XLogP2.45
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine with MolForge

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Related Compounds

N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 97161060
N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 97161059
3-cyclopropyl-N-(1-methylpyrrolidin-3-yl)-1,2,4-thiadiazol-5-amine
CID 65276548
N-pyrimidin-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 75365664
methyl (3S)-3-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]piperidine-1-carboxylate
CID 97319865
N-cyclopropyl-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-thiadiazol-5-amine
CID 112681783
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97074415
N-cyclopropyl-3-(oxan-3-yl)-1,2,4-thiadiazol-5-amine
CID 65334094
4-[(3-cyclopropyl-1,2,4-thiadiazol-5-yl)amino]cyclohexane-1-carboxylic acid
CID 65272703
3-[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103488290
3-cyclopropyl-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 65271457
N-cyclopropyl-3-(4-propylcyclohexyl)-1,2,4-thiadiazol-5-amine
CID 65400997

Frequently Asked Questions

What is the IUPAC name of N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine (CID 97161055) is N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is C1C[C@@H]2C[C@@H](Nc3nc(C4CC4)ns3)CCN2C1.
What is the InChIKey of N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
The InChIKey is DPNINKLXPUIJHX-WDEREUQCSA-N. The full InChI is InChI=1S/C13H20N4S/c1-2-11-8-10(5-7-17(11)6-1)14-13-15-12(16-18-13)9-3-4-9/h9-11H,1-8H2,(H,14,15,16)/t10-,11+/m0/s1.
What are the key properties of N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine?
N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine has a molecular weight of 264.40 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 97161055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).