(1R,2S,4R)-N-[(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine

C15H24N2O2S — CID 98870174

IUPAC(1R,2S,4R)-N-[(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCOCCc1nc(C)c([C@H](C)N[C@H]2C[C@H]3CC[C@H]2O3)s1
InChIInChI=1S/C15H24N2O2S/c1-9(16-12-8-11-4-5-13(12)19-11)15-10(2)17-14(20-15)6-7-18-3/h9,11-13,16H,4-8H2,1-3H3/t9-,11+,12-,13+/m0/s1
InChIKeyJIMQGXKJHSKUMP-ZBAXXZLZSA-N
MW296.44 g/mol
LogP2.61
Rot. Bonds6

About (1R,2S,4R)-N-[(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine

(1R,2S,4R)-N-[(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 98870174) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is (1R,2S,4R)-N-[(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,2S,4R)-N-[(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID98870174
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name(1R,2S,4R)-N-[(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESCOCCc1nc(C)c([C@H](C)N[C@H]2C[C@H]3CC[C@H]2O3)s1
InChIInChI=1S/C15H24N2O2S/c1-9(16-12-8-11-4-5-13(12)19-11)15-10(2)17-14(20-15)6-7-18-3/h9,11-13,16H,4-8H2,1-3H3/t9-,11+,12-,13+/m0/s1
InChIKeyJIMQGXKJHSKUMP-ZBAXXZLZSA-N
XLogP2.61
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2S,4R)-N-[(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine 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

N-[1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]propan-2-amine
CID 115886207
(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethanol
CID 94001080
methyl 5-[1-(7-oxabicyclo[2.2.1]heptan-2-ylamino)ethyl]furan-2-carboxylate
CID 103258490
N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62402343
4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,3-thiazole-5-carboxylic acid
CID 80732447
N-[[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82425664
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80601527
N-[1-(1-ethylpiperidin-4-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715679
N-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine
CID 115713252
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715882
3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)butanoic acid
CID 80721144
N-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715279

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-N-[(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,2S,4R)-N-[(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine (CID 98870174) is (1R,2S,4R)-N-[(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,2S,4R)-N-[(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,2S,4R)-N-[(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is COCCc1nc(C)c([C@H](C)N[C@H]2C[C@H]3CC[C@H]2O3)s1.
What is the InChIKey of (1R,2S,4R)-N-[(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is JIMQGXKJHSKUMP-ZBAXXZLZSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-9(16-12-8-11-4-5-13(12)19-11)15-10(2)17-14(20-15)6-7-18-3/h9,11-13,16H,4-8H2,1-3H3/t9-,11+,12-,13+/m0/s1.
What are the key properties of (1R,2S,4R)-N-[(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine?
(1R,2S,4R)-N-[(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 296.44 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-N-[(1S)-1-[2-(2-methoxyethyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 98870174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).