2-chloro-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-4-amine

C9H12ClFN2S — CID 127004580

IUPAC2-chloro-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-4-amine
SMILESF[C@@H]1CCCC[C@H]1Nc1csc(Cl)n1
InChIInChI=1S/C9H12ClFN2S/c10-9-13-8(5-14-9)12-7-4-2-1-3-6(7)11/h5-7,12H,1-4H2/t6-,7-/m1/s1
InChIKeyQYAGIYMIIRZBGD-RNFRBKRXSA-N
MW234.73 g/mol
LogP3.49
Rot. Bonds2

About 2-chloro-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-4-amine

2-chloro-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-4-amine (PubChem CID 127004580) has the molecular formula C9H12ClFN2S and a molecular weight of 234.73 g/mol. Its IUPAC name is 2-chloro-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-4-amine
PubChem CID127004580
Molecular FormulaC9H12ClFN2S
Molecular Weight234.73 g/mol
Exact Mass234.04
IUPAC Name2-chloro-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-4-amine
SMILESF[C@@H]1CCCC[C@H]1Nc1csc(Cl)n1
InChIInChI=1S/C9H12ClFN2S/c10-9-13-8(5-14-9)12-7-4-2-1-3-6(7)11/h5-7,12H,1-4H2/t6-,7-/m1/s1
InChIKeyQYAGIYMIIRZBGD-RNFRBKRXSA-N
XLogP3.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-4-amine?
The IUPAC name of 2-chloro-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-4-amine (CID 127004580) is 2-chloro-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-4-amine.
What is the SMILES notation for 2-chloro-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-4-amine?
The canonical SMILES for 2-chloro-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-4-amine is F[C@@H]1CCCC[C@H]1Nc1csc(Cl)n1.
What is the InChIKey of 2-chloro-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-4-amine?
The InChIKey is QYAGIYMIIRZBGD-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H12ClFN2S/c10-9-13-8(5-14-9)12-7-4-2-1-3-6(7)11/h5-7,12H,1-4H2/t6-,7-/m1/s1.
What are the key properties of 2-chloro-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-4-amine?
2-chloro-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-4-amine has a molecular weight of 234.73 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1R,2R)-2-fluorocyclohexyl]-1,3-thiazol-4-amine is sourced from PubChem (CID 127004580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).