N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine

C12H21N3S — CID 115089845

IUPACN-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCNC(C)Cc1cnc(C2CCN(C)C2)s1
InChIInChI=1S/C12H21N3S/c1-9(13-2)6-11-7-14-12(16-11)10-4-5-15(3)8-10/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyLUXUQZZJZTZOIS-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.71
Rot. Bonds4

About N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine

N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 115089845) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID115089845
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCNC(C)Cc1cnc(C2CCN(C)C2)s1
InChIInChI=1S/C12H21N3S/c1-9(13-2)6-11-7-14-12(16-11)10-4-5-15(3)8-10/h7,9-10,13H,4-6,8H2,1-3H3
InChIKeyLUXUQZZJZTZOIS-UHFFFAOYSA-N
XLogP1.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine (CID 115089845) is N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine is CNC(C)Cc1cnc(C2CCN(C)C2)s1.
What is the InChIKey of N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is LUXUQZZJZTZOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9(13-2)6-11-7-14-12(16-11)10-4-5-15(3)8-10/h7,9-10,13H,4-6,8H2,1-3H3.
What are the key properties of N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine?
N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 239.39 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 115089845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).