(5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

C19H21N3O2S — CID 97118078

IUPAC(5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2c(c1)cc(C(=O)N1CCCC[C@H]1c1nccs1)n2C
InChIInChI=1S/C19H21N3O2S/c1-21-15-7-6-14(24-2)11-13(15)12-17(21)19(23)22-9-4-3-5-16(22)18-20-8-10-25-18/h6-8,10-12,16H,3-5,9H2,1-2H3/t16-/m0/s1
InChIKeyAUAUURZTCFMDLJ-INIZCTEOSA-N
MW355.46 g/mol
LogP4.01
Rot. Bonds3

About (5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone

(5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (PubChem CID 97118078) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is (5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
PubChem CID97118078
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC Name(5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2c(c1)cc(C(=O)N1CCCC[C@H]1c1nccs1)n2C
InChIInChI=1S/C19H21N3O2S/c1-21-15-7-6-14(24-2)11-13(15)12-17(21)19(23)22-9-4-3-5-16(22)18-20-8-10-25-18/h6-8,10-12,16H,3-5,9H2,1-2H3/t16-/m0/s1
InChIKeyAUAUURZTCFMDLJ-INIZCTEOSA-N
XLogP4.01
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-(5-methoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]thiophene-2-carboxamide
CID 45244350
(1,5-dimethylindol-2-yl)-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methanone
CID 124582318
(2,3-dimethoxyphenyl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 95770186
[2-(methylamino)-1,3-thiazol-4-yl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 77087316
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768613
(2S)-N-(6-methoxy-3-pyridinyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97434584
(3-chloro-4-pyrrolidin-1-ylphenyl)-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 131904764
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 72896225
(2-benzyl-1,3-thiazol-4-yl)-[(2R)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 96576018
[4-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 119069341
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone (CID 97118078) is (5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is COc1ccc2c(c1)cc(C(=O)N1CCCC[C@H]1c1nccs1)n2C.
What is the InChIKey of (5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is AUAUURZTCFMDLJ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-21-15-7-6-14(24-2)11-13(15)12-17(21)19(23)22-9-4-3-5-16(22)18-20-8-10-25-18/h6-8,10-12,16H,3-5,9H2,1-2H3/t16-/m0/s1.
What are the key properties of (5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone?
(5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 355.46 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1-methylindol-2-yl)-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 97118078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).