5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

C13H22N4OS — CID 103360156

IUPAC5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NC1CCN2CCCC12
InChIInChI=1S/C13H22N4OS/c1-8(2)18-11-12(14)16-19-13(11)15-9-5-7-17-6-3-4-10(9)17/h8-10,15H,3-7H2,1-2H3,(H2,14,16)
InChIKeyCFYXZCUAKIMGBM-UHFFFAOYSA-N
MW282.41 g/mol
LogP2.16
Rot. Bonds4

About 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine

5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (PubChem CID 103360156) has the molecular formula C13H22N4OS and a molecular weight of 282.41 g/mol. Its IUPAC name is 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
PubChem CID103360156
Molecular FormulaC13H22N4OS
Molecular Weight282.41 g/mol
Exact Mass282.15
IUPAC Name5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
SMILESCC(C)Oc1c(N)nsc1NC1CCN2CCCC12
InChIInChI=1S/C13H22N4OS/c1-8(2)18-11-12(14)16-19-13(11)15-9-5-7-17-6-3-4-10(9)17/h8-10,15H,3-7H2,1-2H3,(H2,14,16)
InChIKeyCFYXZCUAKIMGBM-UHFFFAOYSA-N
XLogP2.16
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine with MolForge

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Launch Full Analysis

Related Compounds

5-N-(1-methylpiperidin-3-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103359426
5-N-(3,3-dimethylcyclohexyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103364709
4-propan-2-yloxy-5-N-(3,3,5,5-tetramethylcyclohexyl)-1,2-thiazole-3,5-diamine
CID 103365281
5-N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360050
5-N-(1-cyclohexylpropyl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360985
5-N-[(1-ethylpiperidin-4-yl)methyl]-4-propan-2-yloxy-1,2-thiazole-3,5-diamine
CID 103360238
5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103364368
5-(2,2-dimethylhydrazinyl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103364840
4-methoxy-5-N-(2-methoxycyclopentyl)-1,2-thiazole-3,5-diamine
CID 103379871
5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103362856
5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66017249
1-[[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)amino]methyl]-4-methylcyclohexan-1-ol
CID 103359858

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine (CID 103360156) is 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is CC(C)Oc1c(N)nsc1NC1CCN2CCCC12.
What is the InChIKey of 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
The InChIKey is CFYXZCUAKIMGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4OS/c1-8(2)18-11-12(14)16-19-13(11)15-9-5-7-17-6-3-4-10(9)17/h8-10,15H,3-7H2,1-2H3,(H2,14,16).
What are the key properties of 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine?
5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine has a molecular weight of 282.41 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-propan-2-yloxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).