4-(5-bromo-1,3-thiazol-2-yl)-N-fluorocyclohexan-1-amine

C9H12BrFN2S — CID 175270337

IUPAC4-(5-bromo-1,3-thiazol-2-yl)-N-fluorocyclohexan-1-amine
SMILESFNC1CCC(c2ncc(Br)s2)CC1
InChIInChI=1S/C9H12BrFN2S/c10-8-5-12-9(14-8)6-1-3-7(13-11)4-2-6/h5-7,13H,1-4H2
InChIKeyLSOLYSFKAOKVSC-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.41
Rot. Bonds2

About 4-(5-bromo-1,3-thiazol-2-yl)-N-fluorocyclohexan-1-amine

4-(5-bromo-1,3-thiazol-2-yl)-N-fluorocyclohexan-1-amine (PubChem CID 175270337) has the molecular formula C9H12BrFN2S and a molecular weight of 279.18 g/mol. Its IUPAC name is 4-(5-bromo-1,3-thiazol-2-yl)-N-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name4-(5-bromo-1,3-thiazol-2-yl)-N-fluorocyclohexan-1-amine
PubChem CID175270337
Molecular FormulaC9H12BrFN2S
Molecular Weight279.18 g/mol
Exact Mass277.99
IUPAC Name4-(5-bromo-1,3-thiazol-2-yl)-N-fluorocyclohexan-1-amine
SMILESFNC1CCC(c2ncc(Br)s2)CC1
InChIInChI=1S/C9H12BrFN2S/c10-8-5-12-9(14-8)6-1-3-7(13-11)4-2-6/h5-7,13H,1-4H2
InChIKeyLSOLYSFKAOKVSC-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-1,3-thiazol-2-yl)-N-fluorocyclohexan-1-amine?
The IUPAC name of 4-(5-bromo-1,3-thiazol-2-yl)-N-fluorocyclohexan-1-amine (CID 175270337) is 4-(5-bromo-1,3-thiazol-2-yl)-N-fluorocyclohexan-1-amine.
What is the SMILES notation for 4-(5-bromo-1,3-thiazol-2-yl)-N-fluorocyclohexan-1-amine?
The canonical SMILES for 4-(5-bromo-1,3-thiazol-2-yl)-N-fluorocyclohexan-1-amine is FNC1CCC(c2ncc(Br)s2)CC1.
What is the InChIKey of 4-(5-bromo-1,3-thiazol-2-yl)-N-fluorocyclohexan-1-amine?
The InChIKey is LSOLYSFKAOKVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrFN2S/c10-8-5-12-9(14-8)6-1-3-7(13-11)4-2-6/h5-7,13H,1-4H2.
What are the key properties of 4-(5-bromo-1,3-thiazol-2-yl)-N-fluorocyclohexan-1-amine?
4-(5-bromo-1,3-thiazol-2-yl)-N-fluorocyclohexan-1-amine has a molecular weight of 279.18 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-1,3-thiazol-2-yl)-N-fluorocyclohexan-1-amine is sourced from PubChem (CID 175270337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).