1-[6-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanone

C18H24N4OS — CID 100694485

IUPAC1-[6-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CC[C@H](CN(C)Cc3scnc3C)C2)nc1
InChIInChI=1S/C18H24N4OS/c1-13-17(24-12-20-13)11-21(3)9-15-6-7-22(10-15)18-5-4-16(8-19-18)14(2)23/h4-5,8,12,15H,6-7,9-11H2,1-3H3/t15-/m1/s1
InChIKeyTZXUTZGUHGSCQN-OAHLLOKOSA-N
MW344.48 g/mol
LogP3.01
Rot. Bonds6

About 1-[6-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanone

1-[6-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanone (PubChem CID 100694485) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[6-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanone
PubChem CID100694485
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-[6-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CC[C@H](CN(C)Cc3scnc3C)C2)nc1
InChIInChI=1S/C18H24N4OS/c1-13-17(24-12-20-13)11-21(3)9-15-6-7-22(10-15)18-5-4-16(8-19-18)14(2)23/h4-5,8,12,15H,6-7,9-11H2,1-3H3/t15-/m1/s1
InChIKeyTZXUTZGUHGSCQN-OAHLLOKOSA-N
XLogP3.01
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3R)-1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 164633249
4-[[3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]methyl]benzamide
CID 128992640
2-methyl-1-[(3S)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 129400908
(2-methyl-1H-imidazol-5-yl)-[(3S)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone
CID 129477463
1-[3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-methylsulfanylbutan-1-one
CID 128997032
(3S)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]-N-pyridin-3-ylpyrrolidine-1-carboxamide
CID 129400802
1-cyclopropyl-3-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrazin-2-one
CID 129400676
(2R)-2-hydroxy-1-[(3S)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 129400927
1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 115886198
(1,3-dimethylpyrazol-4-yl)-[3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]methanone
CID 129007520
[(3S)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129400860
6-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 115658002

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanone (CID 100694485) is 1-[6-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanone is CC(=O)c1ccc(N2CC[C@H](CN(C)Cc3scnc3C)C2)nc1.
What is the InChIKey of 1-[6-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is TZXUTZGUHGSCQN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13-17(24-12-20-13)11-21(3)9-15-6-7-22(10-15)18-5-4-16(8-19-18)14(2)23/h4-5,8,12,15H,6-7,9-11H2,1-3H3/t15-/m1/s1.
What are the key properties of 1-[6-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanone?
1-[6-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 344.48 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3R)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 100694485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).