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

C13H21N3OS — CID 91487454

IUPAC[2-(dimethylamino)pyrrolidin-1-yl]-(5-propan-2-yl-1,3-thiazol-2-yl)methanone
SMILESCC(C)c1cnc(C(=O)N2CCCC2N(C)C)s1
InChIInChI=1S/C13H21N3OS/c1-9(2)10-8-14-12(18-10)13(17)16-7-5-6-11(16)15(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyUKDFJMYREJUJDT-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.39
Rot. Bonds3

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

[2-(dimethylamino)pyrrolidin-1-yl]-(5-propan-2-yl-1,3-thiazol-2-yl)methanone (PubChem CID 91487454) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is [2-(dimethylamino)pyrrolidin-1-yl]-(5-propan-2-yl-1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[2-(dimethylamino)pyrrolidin-1-yl]-(5-propan-2-yl-1,3-thiazol-2-yl)methanone
PubChem CID91487454
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name[2-(dimethylamino)pyrrolidin-1-yl]-(5-propan-2-yl-1,3-thiazol-2-yl)methanone
SMILESCC(C)c1cnc(C(=O)N2CCCC2N(C)C)s1
InChIInChI=1S/C13H21N3OS/c1-9(2)10-8-14-12(18-10)13(17)16-7-5-6-11(16)15(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyUKDFJMYREJUJDT-UHFFFAOYSA-N
XLogP2.39
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-tert-butyl-3-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]imidazolidine-2,4-dione
CID 86783096
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-N-methyl-5-propan-2-yl-1,3,4-thiadiazole-2-carboxamide
CID 136540322
(5-Tert-butyl-1,3-thiazol-2-yl)-[2-(dimethylamino)pyrrolidin-1-yl]methanone
CID 58523538
N-(5-propan-2-yl-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide
CID 58563354
5-Propan-2-yl-1,3-thiazole-2-carboxamide
CID 66641656
[2-(Dimethylamino)pyrrolidin-1-yl]-(5-ethyl-1,3-thiazol-2-yl)methanone
CID 68166232
[2-(Dimethylamino)pyrrolidin-1-yl]-(5-methyl-1,3-thiazol-2-yl)methanone
CID 70877785
N-[2-(dimethylamino)ethyl]-5-ethyl-1,3-thiazole-2-carboxamide
CID 123389198
5-ethyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-thiazole-2-carboxamide
CID 123434344
5-ethyl-N,N-dimethyl-1,3-thiazole-2-carboxamide
CID 123438219
N-[2-[2-(dimethylcarbamoyl)-1,3-thiazol-5-yl]ethyl]-N-(methoxymethyl)-5-methyl-1,3-thiazole-2-carboxamide
CID 134343270
N,5-di(propan-2-yl)-1,3-thiazole-2-carboxamide
CID 139527918

Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)pyrrolidin-1-yl]-(5-propan-2-yl-1,3-thiazol-2-yl)methanone?
The IUPAC name of [2-(dimethylamino)pyrrolidin-1-yl]-(5-propan-2-yl-1,3-thiazol-2-yl)methanone (CID 91487454) is [2-(dimethylamino)pyrrolidin-1-yl]-(5-propan-2-yl-1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [2-(dimethylamino)pyrrolidin-1-yl]-(5-propan-2-yl-1,3-thiazol-2-yl)methanone?
The canonical SMILES for [2-(dimethylamino)pyrrolidin-1-yl]-(5-propan-2-yl-1,3-thiazol-2-yl)methanone is CC(C)c1cnc(C(=O)N2CCCC2N(C)C)s1.
What is the InChIKey of [2-(dimethylamino)pyrrolidin-1-yl]-(5-propan-2-yl-1,3-thiazol-2-yl)methanone?
The InChIKey is UKDFJMYREJUJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(2)10-8-14-12(18-10)13(17)16-7-5-6-11(16)15(3)4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of [2-(dimethylamino)pyrrolidin-1-yl]-(5-propan-2-yl-1,3-thiazol-2-yl)methanone?
[2-(dimethylamino)pyrrolidin-1-yl]-(5-propan-2-yl-1,3-thiazol-2-yl)methanone has a molecular weight of 267.40 g/mol, XLogP of 2.39, 3 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-propan-2-yl-1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 91487454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).