[5-[(1S,3R,5R)-3-methyl-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methanamine

C11H16N2S — CID 70998337

IUPAC[5-[(1S,3R,5R)-3-methyl-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methanamine
SMILESC[C@@H]1C[C@@H]2C[C@]2(c2cnc(CN)s2)C1
InChIInChI=1S/C11H16N2S/c1-7-2-8-4-11(8,3-7)9-6-13-10(5-12)14-9/h6-8H,2-5,12H2,1H3/t7-,8-,11-/m1/s1
InChIKeyQGWZZCQOQWKUGR-SOCHQFKDSA-N
MW208.33 g/mol
LogP2.29
Rot. Bonds2

About [5-[(1S,3R,5R)-3-methyl-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methanamine

[5-[(1S,3R,5R)-3-methyl-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methanamine (PubChem CID 70998337) has the molecular formula C11H16N2S and a molecular weight of 208.33 g/mol. Its IUPAC name is [5-[(1S,3R,5R)-3-methyl-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-[(1S,3R,5R)-3-methyl-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methanamine
PubChem CID70998337
Molecular FormulaC11H16N2S
Molecular Weight208.33 g/mol
Exact Mass208.10
IUPAC Name[5-[(1S,3R,5R)-3-methyl-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methanamine
SMILESC[C@@H]1C[C@@H]2C[C@]2(c2cnc(CN)s2)C1
InChIInChI=1S/C11H16N2S/c1-7-2-8-4-11(8,3-7)9-6-13-10(5-12)14-9/h6-8H,2-5,12H2,1H3/t7-,8-,11-/m1/s1
InChIKeyQGWZZCQOQWKUGR-SOCHQFKDSA-N
XLogP2.29
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-[(1S,3R,5R)-3-methyl-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methanamine?
The IUPAC name of [5-[(1S,3R,5R)-3-methyl-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methanamine (CID 70998337) is [5-[(1S,3R,5R)-3-methyl-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methanamine.
What is the SMILES notation for [5-[(1S,3R,5R)-3-methyl-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methanamine?
The canonical SMILES for [5-[(1S,3R,5R)-3-methyl-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methanamine is C[C@@H]1C[C@@H]2C[C@]2(c2cnc(CN)s2)C1.
What is the InChIKey of [5-[(1S,3R,5R)-3-methyl-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methanamine?
The InChIKey is QGWZZCQOQWKUGR-SOCHQFKDSA-N. The full InChI is InChI=1S/C11H16N2S/c1-7-2-8-4-11(8,3-7)9-6-13-10(5-12)14-9/h6-8H,2-5,12H2,1H3/t7-,8-,11-/m1/s1.
What are the key properties of [5-[(1S,3R,5R)-3-methyl-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methanamine?
[5-[(1S,3R,5R)-3-methyl-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methanamine has a molecular weight of 208.33 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1S,3R,5R)-3-methyl-1-bicyclo[3.1.0]hexanyl]-1,3-thiazol-2-yl]methanamine is sourced from PubChem (CID 70998337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).