4-[[(1R,4S,7S)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-2-methyl-1,3-thiazole

C12H18N2OS — CID 124803036

IUPAC4-[[(1R,4S,7S)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-2-methyl-1,3-thiazole
SMILESCO[C@H]1[C@H]2CC[C@H]1N(Cc1csc(C)n1)C2
InChIInChI=1S/C12H18N2OS/c1-8-13-10(7-16-8)6-14-5-9-3-4-11(14)12(9)15-2/h7,9,11-12H,3-6H2,1-2H3/t9-,11+,12-/m0/s1
InChIKeyOOPLSSYSZHFKFT-WCQGTBRESA-N
MW238.36 g/mol
LogP2.06
Rot. Bonds3

About 4-[[(1R,4S,7S)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-2-methyl-1,3-thiazole

4-[[(1R,4S,7S)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-2-methyl-1,3-thiazole (PubChem CID 124803036) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 4-[[(1R,4S,7S)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[[(1R,4S,7S)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-2-methyl-1,3-thiazole
PubChem CID124803036
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name4-[[(1R,4S,7S)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-2-methyl-1,3-thiazole
SMILESCO[C@H]1[C@H]2CC[C@H]1N(Cc1csc(C)n1)C2
InChIInChI=1S/C12H18N2OS/c1-8-13-10(7-16-8)6-14-5-9-3-4-11(14)12(9)15-2/h7,9,11-12H,3-6H2,1-2H3/t9-,11+,12-/m0/s1
InChIKeyOOPLSSYSZHFKFT-WCQGTBRESA-N
XLogP2.06
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[(1R,4S,7S)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-2-methyl-1,3-thiazole with MolForge

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Related Compounds

7-methoxy-2-[(6-methyl-2-pyridinyl)methyl]-2-azabicyclo[2.2.1]heptane
CID 131661375
(3aS,5R,7aS)-5-(ethoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97387185
(3aS,5R,7aS)-5-(cyclopropylmethoxymethyl)-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole
CID 97461172
4-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]methyl]-2-methyl-1,3-thiazole;hydrochloride
CID 120661028
methyl 2-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-2-yl]acetate
CID 62026007
2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18738458
1-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441678
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-ol
CID 60643680
(3aS,6aR)-4-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one
CID 98778785
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
2-methyl-4-[(2-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 62673861
N-methyl-1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]methanamine
CID 63250806

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,4S,7S)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[[(1R,4S,7S)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-2-methyl-1,3-thiazole (CID 124803036) is 4-[[(1R,4S,7S)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[[(1R,4S,7S)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[[(1R,4S,7S)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-2-methyl-1,3-thiazole is CO[C@H]1[C@H]2CC[C@H]1N(Cc1csc(C)n1)C2.
What is the InChIKey of 4-[[(1R,4S,7S)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-2-methyl-1,3-thiazole?
The InChIKey is OOPLSSYSZHFKFT-WCQGTBRESA-N. The full InChI is InChI=1S/C12H18N2OS/c1-8-13-10(7-16-8)6-14-5-9-3-4-11(14)12(9)15-2/h7,9,11-12H,3-6H2,1-2H3/t9-,11+,12-/m0/s1.
What are the key properties of 4-[[(1R,4S,7S)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-2-methyl-1,3-thiazole?
4-[[(1R,4S,7S)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-2-methyl-1,3-thiazole has a molecular weight of 238.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,4S,7S)-7-methoxy-2-azabicyclo[2.2.1]heptan-2-yl]methyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 124803036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).