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

C15H27N3S — CID 115090863

IUPACN-methyl-1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
SMILESCNC(C)Cc1cnc(CC2CCCN2C(C)C)s1
InChIInChI=1S/C15H27N3S/c1-11(2)18-7-5-6-13(18)9-15-17-10-14(19-15)8-12(3)16-4/h10-13,16H,5-9H2,1-4H3
InChIKeyXFPCTKUTBCOKMF-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.71
Rot. Bonds6

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

N-methyl-1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 115090863) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-methyl-1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
PubChem CID115090863
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-methyl-1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
SMILESCNC(C)Cc1cnc(CC2CCCN2C(C)C)s1
InChIInChI=1S/C15H27N3S/c1-11(2)18-7-5-6-13(18)9-15-17-10-14(19-15)8-12(3)16-4/h10-13,16H,5-9H2,1-4H3
InChIKeyXFPCTKUTBCOKMF-UHFFFAOYSA-N
XLogP2.71
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.71
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-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of N-methyl-1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine (CID 115090863) is N-methyl-1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-methyl-1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for N-methyl-1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine is CNC(C)Cc1cnc(CC2CCCN2C(C)C)s1.
What is the InChIKey of N-methyl-1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is XFPCTKUTBCOKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-11(2)18-7-5-6-13(18)9-15-17-10-14(19-15)8-12(3)16-4/h10-13,16H,5-9H2,1-4H3.
What are the key properties of N-methyl-1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine?
N-methyl-1-[2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 281.47 g/mol, XLogP of 2.71, 6 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-propan-2-ylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 115090863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).