2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone

C13H17N3OS — CID 3687137

IUPAC2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(C2CCNCC2)n1)N1CC=CC1
InChIInChI=1S/C13H17N3OS/c17-13(16-7-1-2-8-16)11-9-18-12(15-11)10-3-5-14-6-4-10/h1-2,9-10,14H,3-8H2
InChIKeyRLADGDDQYSPOOC-UHFFFAOYSA-N
MW263.37 g/mol
LogP1.62
Rot. Bonds2

About 2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone

2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone (PubChem CID 3687137) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
PubChem CID3687137
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(C2CCNCC2)n1)N1CC=CC1
InChIInChI=1S/C13H17N3OS/c17-13(16-7-1-2-8-16)11-9-18-12(15-11)10-3-5-14-6-4-10/h1-2,9-10,14H,3-8H2
InChIKeyRLADGDDQYSPOOC-UHFFFAOYSA-N
XLogP1.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 66679882
(3-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3503776
(2-methylpiperidin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 3875834
fluoro 2-piperidin-4-yl-1,3-thiazole-4-carboxylate
CID 156738991
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 141269853
azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone
CID 3678062
(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone
CID 66887064
4-[4-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]piperidine-1-carboxylic acid
CID 66887389
(3R)-1-(2-cyclopropyl-1,3-thiazole-4-carbonyl)piperidine-3-carboxylic acid
CID 124576560
N-cyclohexyl-N-methyl-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23765843
1-(2-cyclopropyl-1,3-thiazole-4-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 102553338
ethyl 4-[(2-piperidin-4-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 5091991

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of 2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone (CID 3687137) is 2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for 2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for 2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(C2CCNCC2)n1)N1CC=CC1.
What is the InChIKey of 2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is RLADGDDQYSPOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c17-13(16-7-1-2-8-16)11-9-18-12(15-11)10-3-5-14-6-4-10/h1-2,9-10,14H,3-8H2.
What are the key properties of 2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone?
2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 263.37 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydropyrrol-1-yl-(2-piperidin-4-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 3687137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).