[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone

C18H23N3OS — CID 86855864

IUPAC[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(CN(C)Cc2ccc(C(=O)N3CCCC3)cc2)cs1
InChIInChI=1S/C18H23N3OS/c1-14-19-17(13-23-14)12-20(2)11-15-5-7-16(8-6-15)18(22)21-9-3-4-10-21/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyZIAGAHMKXKHBIS-UHFFFAOYSA-N
MW329.47 g/mol
LogP3.32
Rot. Bonds5

About [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone

[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 86855864) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID86855864
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(CN(C)Cc2ccc(C(=O)N3CCCC3)cc2)cs1
InChIInChI=1S/C18H23N3OS/c1-14-19-17(13-23-14)12-20(2)11-15-5-7-16(8-6-15)18(22)21-9-3-4-10-21/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyZIAGAHMKXKHBIS-UHFFFAOYSA-N
XLogP3.32
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone with MolForge

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Related Compounds

[4-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 111336420
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CID 46969503
1-[4-[4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoyl]piperazin-1-yl]ethanone
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2,3-dihydro-1H-inden-5-yl-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 38470789
N-[[4-(azepane-1-carbonyl)phenyl]methyl]-N-methylmethanesulfonamide
CID 16662252
[4-(4-chlorobenzoyl)piperazin-1-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]phenyl]methanone
CID 46551500
(4-fluorophenyl)-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone
CID 134074094
(3,4-dimethylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51308012
(4-fluoro-3-piperidin-1-ylsulfonylphenyl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 39539144
(1-benzoylpiperidin-4-yl)-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 23823635
1-[[2-(1-methoxyethyl)-1,3-thiazol-4-yl]methyl]-1,2-dimethyl-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine
CID 109455030
[4-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carbonyl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
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Frequently Asked Questions

What is the IUPAC name of [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone (CID 86855864) is [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone is Cc1nc(CN(C)Cc2ccc(C(=O)N3CCCC3)cc2)cs1.
What is the InChIKey of [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZIAGAHMKXKHBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-14-19-17(13-23-14)12-20(2)11-15-5-7-16(8-6-15)18(22)21-9-3-4-10-21/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone?
[4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 329.47 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 86855864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).