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

C14H23N3OS — CID 58523538

IUPAC(5-tert-butyl-1,3-thiazol-2-yl)-[2-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCCN1C(=O)c1ncc(C(C)(C)C)s1
InChIInChI=1S/C14H23N3OS/c1-14(2,3)10-9-15-12(19-10)13(18)17-8-6-7-11(17)16(4)5/h9,11H,6-8H2,1-5H3
InChIKeyUMDRDUFURKUYNL-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.56
Rot. Bonds2

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

(5-tert-butyl-1,3-thiazol-2-yl)-[2-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 58523538) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is (5-tert-butyl-1,3-thiazol-2-yl)-[2-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-tert-butyl-1,3-thiazol-2-yl)-[2-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID58523538
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC Name(5-tert-butyl-1,3-thiazol-2-yl)-[2-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCCN1C(=O)c1ncc(C(C)(C)C)s1
InChIInChI=1S/C14H23N3OS/c1-14(2,3)10-9-15-12(19-10)13(18)17-8-6-7-11(17)16(4)5/h9,11H,6-8H2,1-5H3
InChIKeyUMDRDUFURKUYNL-UHFFFAOYSA-N
XLogP2.56
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.56
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
5-Tert-butyl-1,3-thiazole-2-carboxamide
CID 19786350
5-tert-butyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-2-carboxamide
CID 57737434
[2-(Dimethylamino)pyrrolidin-1-yl]-(5-ethyl-1,3-thiazol-2-yl)methanone
CID 68166232
5-Tert-butyl-1,3-thiazole-2-carboxamide;dihydrochloride
CID 69277862
[2-(Dimethylamino)pyrrolidin-1-yl]-(5-methyl-1,3-thiazol-2-yl)methanone
CID 70877785
5-Tert-butyl-N-methoxy-N-methyl-1,3-thiazole-2-carboxamide
CID 86720745
5-tert-butyl-N-methyl-1,3-thiazole-2-carboxamide
CID 90191346
[2-(Dimethylamino)pyrrolidin-1-yl]-(5-propan-2-yl-1,3-thiazol-2-yl)methanone
CID 91487454
5-ethyl-N,N-dimethyl-1,3-thiazole-2-carboxamide
CID 123438219
1-[2-(5-Propan-2-yl-1,3-thiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 141979730
4-(5-Tert-butyl-1,3-thiazol-2-yl)-1,3-thiazolidine-3-carboxamide
CID 142075752

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,3-thiazol-2-yl)-[2-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-tert-butyl-1,3-thiazol-2-yl)-[2-(dimethylamino)pyrrolidin-1-yl]methanone (CID 58523538) is (5-tert-butyl-1,3-thiazol-2-yl)-[2-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-tert-butyl-1,3-thiazol-2-yl)-[2-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-tert-butyl-1,3-thiazol-2-yl)-[2-(dimethylamino)pyrrolidin-1-yl]methanone is CN(C)C1CCCN1C(=O)c1ncc(C(C)(C)C)s1.
What is the InChIKey of (5-tert-butyl-1,3-thiazol-2-yl)-[2-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is UMDRDUFURKUYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-14(2,3)10-9-15-12(19-10)13(18)17-8-6-7-11(17)16(4)5/h9,11H,6-8H2,1-5H3.
What are the key properties of (5-tert-butyl-1,3-thiazol-2-yl)-[2-(dimethylamino)pyrrolidin-1-yl]methanone?
(5-tert-butyl-1,3-thiazol-2-yl)-[2-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 281.42 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,3-thiazol-2-yl)-[2-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 58523538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).