N-methyl-1-(1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

C11H17N3S — CID 82856477

IUPACN-methyl-1-(1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCNC1(c2nccs2)CCN2CCCC21
InChIInChI=1S/C11H17N3S/c1-12-11(10-13-5-8-15-10)4-7-14-6-2-3-9(11)14/h5,8-9,12H,2-4,6-7H2,1H3
InChIKeyIZSSUNIUHVUENA-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.43
Rot. Bonds2

About N-methyl-1-(1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

N-methyl-1-(1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (PubChem CID 82856477) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-methyl-1-(1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.

Molecular Properties

Compound NameN-methyl-1-(1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
PubChem CID82856477
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN-methyl-1-(1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCNC1(c2nccs2)CCN2CCCC21
InChIInChI=1S/C11H17N3S/c1-12-11(10-13-5-8-15-10)4-7-14-6-2-3-9(11)14/h5,8-9,12H,2-4,6-7H2,1H3
InChIKeyIZSSUNIUHVUENA-UHFFFAOYSA-N
XLogP1.43
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-Azabicyclo[2.2.1]heptan-2-yl)-1,3-thiazole
CID 49824351
2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclohexan-1-amine
CID 64488437
1-[(2S,4S)-4-fluoro-1-(1,3-thiazol-2-ylmethyl)pyrrolidin-2-yl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120905362
2-[[(3aS,6aS)-4-(2-methylpropyl)-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrol-1-yl]methyl]-1,3-thiazole
CID 125193287
2-N-(3-ethylcyclohexyl)-1-(1,3-thiazol-2-yl)butane-1,2-diamine
CID 53676076
Pyrrolidin-3-yl(1,3-thiazol-2-yl)methanamine
CID 57855191
[(3R)-1-tert-butylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine
CID 58420509
(1-Methylpyrrolidin-3-yl)-(1,3-thiazol-2-yl)methanamine
CID 58803050
[(3R)-1-ethylpyrrolidin-3-yl]-(1,3-thiazol-2-yl)methanamine
CID 66783233
2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)-1,3-thiazole
CID 67661922
(1-Tert-butylpyrrolidin-3-yl)-(1,3-thiazol-2-yl)methanamine
CID 68031975
Thiazol-2-ylmethyl-[2-(1-methyl-pyrrolidin-2-yl)-ethyl]-amine
CID 86604245

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The IUPAC name of N-methyl-1-(1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (CID 82856477) is N-methyl-1-(1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.
What is the SMILES notation for N-methyl-1-(1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The canonical SMILES for N-methyl-1-(1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is CNC1(c2nccs2)CCN2CCCC21.
What is the InChIKey of N-methyl-1-(1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The InChIKey is IZSSUNIUHVUENA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-12-11(10-13-5-8-15-10)4-7-14-6-2-3-9(11)14/h5,8-9,12H,2-4,6-7H2,1H3.
What are the key properties of N-methyl-1-(1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
N-methyl-1-(1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine has a molecular weight of 223.34 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1,3-thiazol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is sourced from PubChem (CID 82856477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).