[(1S,3S)-3-(2-methoxy-1,3-thiazol-5-yl)-2,2-dimethylcyclopropyl]methanamine

C10H16N2OS — CID 178197137

IUPAC[(1S,3S)-3-(2-methoxy-1,3-thiazol-5-yl)-2,2-dimethylcyclopropyl]methanamine
SMILESCOc1ncc([C@H]2[C@H](CN)C2(C)C)s1
InChIInChI=1S/C10H16N2OS/c1-10(2)6(4-11)8(10)7-5-12-9(13-3)14-7/h5-6,8H,4,11H2,1-3H3/t6-,8+/m0/s1
InChIKeyFUYRXFRXFYYZOA-POYBYMJQSA-N
MW212.32 g/mol
LogP1.85
Rot. Bonds3

About [(1S,3S)-3-(2-methoxy-1,3-thiazol-5-yl)-2,2-dimethylcyclopropyl]methanamine

[(1S,3S)-3-(2-methoxy-1,3-thiazol-5-yl)-2,2-dimethylcyclopropyl]methanamine (PubChem CID 178197137) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is [(1S,3S)-3-(2-methoxy-1,3-thiazol-5-yl)-2,2-dimethylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1S,3S)-3-(2-methoxy-1,3-thiazol-5-yl)-2,2-dimethylcyclopropyl]methanamine
PubChem CID178197137
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC Name[(1S,3S)-3-(2-methoxy-1,3-thiazol-5-yl)-2,2-dimethylcyclopropyl]methanamine
SMILESCOc1ncc([C@H]2[C@H](CN)C2(C)C)s1
InChIInChI=1S/C10H16N2OS/c1-10(2)6(4-11)8(10)7-5-12-9(13-3)14-7/h5-6,8H,4,11H2,1-3H3/t6-,8+/m0/s1
InChIKeyFUYRXFRXFYYZOA-POYBYMJQSA-N
XLogP1.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S,3S)-3-(2-methoxy-1,3-thiazol-5-yl)-2,2-dimethylcyclopropyl]methanamine?
The IUPAC name of [(1S,3S)-3-(2-methoxy-1,3-thiazol-5-yl)-2,2-dimethylcyclopropyl]methanamine (CID 178197137) is [(1S,3S)-3-(2-methoxy-1,3-thiazol-5-yl)-2,2-dimethylcyclopropyl]methanamine.
What is the SMILES notation for [(1S,3S)-3-(2-methoxy-1,3-thiazol-5-yl)-2,2-dimethylcyclopropyl]methanamine?
The canonical SMILES for [(1S,3S)-3-(2-methoxy-1,3-thiazol-5-yl)-2,2-dimethylcyclopropyl]methanamine is COc1ncc([C@H]2[C@H](CN)C2(C)C)s1.
What is the InChIKey of [(1S,3S)-3-(2-methoxy-1,3-thiazol-5-yl)-2,2-dimethylcyclopropyl]methanamine?
The InChIKey is FUYRXFRXFYYZOA-POYBYMJQSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-10(2)6(4-11)8(10)7-5-12-9(13-3)14-7/h5-6,8H,4,11H2,1-3H3/t6-,8+/m0/s1.
What are the key properties of [(1S,3S)-3-(2-methoxy-1,3-thiazol-5-yl)-2,2-dimethylcyclopropyl]methanamine?
[(1S,3S)-3-(2-methoxy-1,3-thiazol-5-yl)-2,2-dimethylcyclopropyl]methanamine has a molecular weight of 212.32 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3S)-3-(2-methoxy-1,3-thiazol-5-yl)-2,2-dimethylcyclopropyl]methanamine is sourced from PubChem (CID 178197137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).