[3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone

C15H17N3OS — CID 70313001

IUPAC[3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone
SMILESCN(c1nccs1)C1CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C15H17N3OS/c1-17(15-16-8-10-20-15)13-7-9-18(11-13)14(19)12-5-3-2-4-6-12/h2-6,8,10,13H,7,9,11H2,1H3
InChIKeyCROOYLPTJLQMAQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.49
Rot. Bonds3

About [3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone

[3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 70313001) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is [3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone
PubChem CID70313001
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name[3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone
SMILESCN(c1nccs1)C1CCN(C(=O)c2ccccc2)C1
InChIInChI=1S/C15H17N3OS/c1-17(15-16-8-10-20-15)13-7-9-18(11-13)14(19)12-5-3-2-4-6-12/h2-6,8,10,13H,7,9,11H2,1H3
InChIKeyCROOYLPTJLQMAQ-UHFFFAOYSA-N
XLogP2.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone (CID 70313001) is [3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone is CN(c1nccs1)C1CCN(C(=O)c2ccccc2)C1.
What is the InChIKey of [3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is CROOYLPTJLQMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-17(15-16-8-10-20-15)13-7-9-18(11-13)14(19)12-5-3-2-4-6-12/h2-6,8,10,13H,7,9,11H2,1H3.
What are the key properties of [3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone?
[3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 287.39 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl(1,3-thiazol-2-yl)amino]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 70313001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).