5-bromo-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-2-amine

C9H12BrFN2S — CID 131086415

IUPAC5-bromo-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-2-amine
SMILESF[C@@H]1CCCC[C@H]1Nc1ncc(Br)s1
InChIInChI=1S/C9H12BrFN2S/c10-8-5-12-9(14-8)13-7-4-2-1-3-6(7)11/h5-7H,1-4H2,(H,12,13)/t6-,7-/m1/s1
InChIKeyQZWIHBTWAARTGI-RNFRBKRXSA-N
MW279.18 g/mol
LogP3.60
Rot. Bonds2

About 5-bromo-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-2-amine

5-bromo-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-2-amine (PubChem CID 131086415) has the molecular formula C9H12BrFN2S and a molecular weight of 279.18 g/mol. Its IUPAC name is 5-bromo-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-2-amine
PubChem CID131086415
Molecular FormulaC9H12BrFN2S
Molecular Weight279.18 g/mol
Exact Mass277.99
IUPAC Name5-bromo-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-2-amine
SMILESF[C@@H]1CCCC[C@H]1Nc1ncc(Br)s1
InChIInChI=1S/C9H12BrFN2S/c10-8-5-12-9(14-8)13-7-4-2-1-3-6(7)11/h5-7H,1-4H2,(H,12,13)/t6-,7-/m1/s1
InChIKeyQZWIHBTWAARTGI-RNFRBKRXSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-2-amine (CID 131086415) is 5-bromo-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-2-amine is F[C@@H]1CCCC[C@H]1Nc1ncc(Br)s1.
What is the InChIKey of 5-bromo-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-2-amine?
The InChIKey is QZWIHBTWAARTGI-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H12BrFN2S/c10-8-5-12-9(14-8)13-7-4-2-1-3-6(7)11/h5-7H,1-4H2,(H,12,13)/t6-,7-/m1/s1.
What are the key properties of 5-bromo-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-2-amine?
5-bromo-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-2-amine has a molecular weight of 279.18 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 131086415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).