3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine

C12H21N3S — CID 112643281

IUPAC3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine
SMILESCC(C)(C(N)Cc1cncs1)N1CCCC1
InChIInChI=1S/C12H21N3S/c1-12(2,15-5-3-4-6-15)11(13)7-10-8-14-9-16-10/h8-9,11H,3-7,13H2,1-2H3
InChIKeyOFYJCBJQQCOEOC-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.89
Rot. Bonds4

About 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine

3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine (PubChem CID 112643281) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine.

Molecular Properties

Compound Name3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine
PubChem CID112643281
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine
SMILESCC(C)(C(N)Cc1cncs1)N1CCCC1
InChIInChI=1S/C12H21N3S/c1-12(2,15-5-3-4-6-15)11(13)7-10-8-14-9-16-10/h8-9,11H,3-7,13H2,1-2H3
InChIKeyOFYJCBJQQCOEOC-UHFFFAOYSA-N
XLogP1.89
TPSA42.15 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 ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine?
The IUPAC name of 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine (CID 112643281) is 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine.
What is the SMILES notation for 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine?
The canonical SMILES for 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine is CC(C)(C(N)Cc1cncs1)N1CCCC1.
What is the InChIKey of 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine?
The InChIKey is OFYJCBJQQCOEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-12(2,15-5-3-4-6-15)11(13)7-10-8-14-9-16-10/h8-9,11H,3-7,13H2,1-2H3.
What are the key properties of 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine?
3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine has a molecular weight of 239.39 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-5-yl)butan-2-amine is sourced from PubChem (CID 112643281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).