[2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone

C18H30N2O2S — CID 124609314

IUPAC[2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone
SMILESCO[C@H](C)c1nc(C)c(C(=O)N2CCCCC[C@H]2CC(C)C)s1
InChIInChI=1S/C18H30N2O2S/c1-12(2)11-15-9-7-6-8-10-20(15)18(21)16-13(3)19-17(23-16)14(4)22-5/h12,14-15H,6-11H2,1-5H3/t14-,15+/m1/s1
InChIKeyPOVIWYLCSOSZFF-CABCVRRESA-N
MW338.52 g/mol
LogP4.59
Rot. Bonds5

About [2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone

[2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone (PubChem CID 124609314) has the molecular formula C18H30N2O2S and a molecular weight of 338.52 g/mol. Its IUPAC name is [2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone.

Molecular Properties

Compound Name[2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone
PubChem CID124609314
Molecular FormulaC18H30N2O2S
Molecular Weight338.52 g/mol
Exact Mass338.20
IUPAC Name[2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone
SMILESCO[C@H](C)c1nc(C)c(C(=O)N2CCCCC[C@H]2CC(C)C)s1
InChIInChI=1S/C18H30N2O2S/c1-12(2)11-15-9-7-6-8-10-20(15)18(21)16-13(3)19-17(23-16)14(4)22-5/h12,14-15H,6-11H2,1-5H3/t14-,15+/m1/s1
InChIKeyPOVIWYLCSOSZFF-CABCVRRESA-N
XLogP4.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.52
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[2-[(1S)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-2-carboxylic acid
CID 124688096
(3R)-1-[2-[(1S)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carbonyl]piperidine-3-carboxylic acid
CID 99718226
(3S)-1-[2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 124610485
[2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[2-(2-methyl-1,3-thiazol-4-yl)pyrrolidin-1-yl]methanone
CID 127940351
[4-(aminomethyl)piperidin-1-yl]-[2-[(1S)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]methanone
CID 124688093
[2-(1-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119491492
methyl 2-(1-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxylate
CID 79832555
(2-amino-4-methyl-1,3-thiazol-5-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 94600348
[2-(azepan-1-ylmethyl)piperidin-1-yl]-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]methanone
CID 46969369
[2-(2-methylpropyl)azepan-1-yl]-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanone
CID 119042821
(1-tert-butylpyrazol-4-yl)-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone
CID 124591057
[2-(2-aminoethyl)-1,3-thiazol-4-yl]-[2-(2-methylpropyl)azepan-1-yl]methanone;hydrochloride
CID 120634912

Frequently Asked Questions

What is the IUPAC name of [2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone?
The IUPAC name of [2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone (CID 124609314) is [2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone.
What is the SMILES notation for [2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone?
The canonical SMILES for [2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone is CO[C@H](C)c1nc(C)c(C(=O)N2CCCCC[C@H]2CC(C)C)s1.
What is the InChIKey of [2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone?
The InChIKey is POVIWYLCSOSZFF-CABCVRRESA-N. The full InChI is InChI=1S/C18H30N2O2S/c1-12(2)11-15-9-7-6-8-10-20(15)18(21)16-13(3)19-17(23-16)14(4)22-5/h12,14-15H,6-11H2,1-5H3/t14-,15+/m1/s1.
What are the key properties of [2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone?
[2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone has a molecular weight of 338.52 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazol-5-yl]-[(2S)-2-(2-methylpropyl)azepan-1-yl]methanone is sourced from PubChem (CID 124609314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).