[2-(dimethylamino)pyrrolidin-1-yl]-(5-methyl-1,3-thiazol-2-yl)methanone

C11H17N3OS — CID 70877785

IUPAC[2-(dimethylamino)pyrrolidin-1-yl]-(5-methyl-1,3-thiazol-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC2N(C)C)s1
InChIInChI=1S/C11H17N3OS/c1-8-7-12-10(16-8)11(15)14-6-4-5-9(14)13(2)3/h7,9H,4-6H2,1-3H3
InChIKeyWMYPWCJPDHHMHU-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.58
Rot. Bonds2

About [2-(dimethylamino)pyrrolidin-1-yl]-(5-methyl-1,3-thiazol-2-yl)methanone

[2-(dimethylamino)pyrrolidin-1-yl]-(5-methyl-1,3-thiazol-2-yl)methanone (PubChem CID 70877785) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is [2-(dimethylamino)pyrrolidin-1-yl]-(5-methyl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)pyrrolidin-1-yl]-(5-methyl-1,3-thiazol-2-yl)methanone
PubChem CID70877785
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name[2-(dimethylamino)pyrrolidin-1-yl]-(5-methyl-1,3-thiazol-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCCC2N(C)C)s1
InChIInChI=1S/C11H17N3OS/c1-8-7-12-10(16-8)11(15)14-6-4-5-9(14)13(2)3/h7,9H,4-6H2,1-3H3
InChIKeyWMYPWCJPDHHMHU-UHFFFAOYSA-N
XLogP1.58
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)pyrrolidin-1-yl]-(5-methyl-1,3-thiazol-2-yl)methanone?
The IUPAC name of [2-(dimethylamino)pyrrolidin-1-yl]-(5-methyl-1,3-thiazol-2-yl)methanone (CID 70877785) is [2-(dimethylamino)pyrrolidin-1-yl]-(5-methyl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [2-(dimethylamino)pyrrolidin-1-yl]-(5-methyl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for [2-(dimethylamino)pyrrolidin-1-yl]-(5-methyl-1,3-thiazol-2-yl)methanone is Cc1cnc(C(=O)N2CCCC2N(C)C)s1.
What is the InChIKey of [2-(dimethylamino)pyrrolidin-1-yl]-(5-methyl-1,3-thiazol-2-yl)methanone?
The InChIKey is WMYPWCJPDHHMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-7-12-10(16-8)11(15)14-6-4-5-9(14)13(2)3/h7,9H,4-6H2,1-3H3.
What are the key properties of [2-(dimethylamino)pyrrolidin-1-yl]-(5-methyl-1,3-thiazol-2-yl)methanone?
[2-(dimethylamino)pyrrolidin-1-yl]-(5-methyl-1,3-thiazol-2-yl)methanone has a molecular weight of 239.34 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)pyrrolidin-1-yl]-(5-methyl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 70877785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).