[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone

C14H17N3OS — CID 95762306

IUPAC[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCc1csc([C@H]2CCCCN2C(=O)c2ccc[nH]2)n1
InChIInChI=1S/C14H17N3OS/c1-10-9-19-13(16-10)12-6-2-3-8-17(12)14(18)11-5-4-7-15-11/h4-5,7,9,12,15H,2-3,6,8H2,1H3/t12-/m1/s1
InChIKeyAHQPCXBREXLFQL-GFCCVEGCSA-N
MW275.38 g/mol
LogP3.15
Rot. Bonds2

About [(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone

[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 95762306) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is [(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
PubChem CID95762306
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone
SMILESCc1csc([C@H]2CCCCN2C(=O)c2ccc[nH]2)n1
InChIInChI=1S/C14H17N3OS/c1-10-9-19-13(16-10)12-6-2-3-8-17(12)14(18)11-5-4-7-15-11/h4-5,7,9,12,15H,2-3,6,8H2,1H3/t12-/m1/s1
InChIKeyAHQPCXBREXLFQL-GFCCVEGCSA-N
XLogP3.15
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762073
(1-methylpyrrol-2-yl)-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768314
(5-methylfuran-2-yl)-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762285
(1,5-dimethylpyrazol-4-yl)-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762332
(5-methylpyrazin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95734995
[4-(methoxymethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762290
2-methyl-6-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-3-carbonitrile
CID 95762363
2,3-dihydrofuran-4-yl-[2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768479
[2-(fluoromethyl)phenyl]-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 67514600
5-[2-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119126423
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95313911
(1,5-dimethylpyrazol-3-yl)-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95762416

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The IUPAC name of [(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone (CID 95762306) is [(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for [(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone is Cc1csc([C@H]2CCCCN2C(=O)c2ccc[nH]2)n1.
What is the InChIKey of [(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone?
The InChIKey is AHQPCXBREXLFQL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-10-9-19-13(16-10)12-6-2-3-8-17(12)14(18)11-5-4-7-15-11/h4-5,7,9,12,15H,2-3,6,8H2,1H3/t12-/m1/s1.
What are the key properties of [(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone?
[(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 275.38 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 95762306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).