1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine

C12H21N3S — CID 116884663

IUPAC1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1nc(C2CCN(C)C2)sc1CC(C)N
InChIInChI=1S/C12H21N3S/c1-8(13)6-11-9(2)14-12(16-11)10-4-5-15(3)7-10/h8,10H,4-7,13H2,1-3H3
InChIKeyGPARCYHUSMHUJP-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.76
Rot. Bonds3

About 1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine

1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine (PubChem CID 116884663) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
PubChem CID116884663
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine
SMILESCc1nc(C2CCN(C)C2)sc1CC(C)N
InChIInChI=1S/C12H21N3S/c1-8(13)6-11-9(2)14-12(16-11)10-4-5-15(3)7-10/h8,10H,4-7,13H2,1-3H3
InChIKeyGPARCYHUSMHUJP-UHFFFAOYSA-N
XLogP1.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine?
The IUPAC name of 1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine (CID 116884663) is 1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine.
What is the SMILES notation for 1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine?
The canonical SMILES for 1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine is Cc1nc(C2CCN(C)C2)sc1CC(C)N.
What is the InChIKey of 1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine?
The InChIKey is GPARCYHUSMHUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-8(13)6-11-9(2)14-12(16-11)10-4-5-15(3)7-10/h8,10H,4-7,13H2,1-3H3.
What are the key properties of 1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine?
1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine has a molecular weight of 239.39 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(1-methylpyrrolidin-3-yl)-1,3-thiazol-5-yl]propan-2-amine is sourced from PubChem (CID 116884663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).