5-bromo-N-[(1-fluorocyclopentyl)methyl]-1,3-thiazol-2-amine

C9H12BrFN2S — CID 130670250

IUPAC5-bromo-N-[(1-fluorocyclopentyl)methyl]-1,3-thiazol-2-amine
SMILESFC1(CNc2ncc(Br)s2)CCCC1
InChIInChI=1S/C9H12BrFN2S/c10-7-5-12-8(14-7)13-6-9(11)3-1-2-4-9/h5H,1-4,6H2,(H,12,13)
InChIKeyBSVUDGNNYNCMKX-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.60
Rot. Bonds3

About 5-bromo-N-[(1-fluorocyclopentyl)methyl]-1,3-thiazol-2-amine

5-bromo-N-[(1-fluorocyclopentyl)methyl]-1,3-thiazol-2-amine (PubChem CID 130670250) has the molecular formula C9H12BrFN2S and a molecular weight of 279.18 g/mol. Its IUPAC name is 5-bromo-N-[(1-fluorocyclopentyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(1-fluorocyclopentyl)methyl]-1,3-thiazol-2-amine
PubChem CID130670250
Molecular FormulaC9H12BrFN2S
Molecular Weight279.18 g/mol
Exact Mass277.99
IUPAC Name5-bromo-N-[(1-fluorocyclopentyl)methyl]-1,3-thiazol-2-amine
SMILESFC1(CNc2ncc(Br)s2)CCCC1
InChIInChI=1S/C9H12BrFN2S/c10-7-5-12-8(14-7)13-6-9(11)3-1-2-4-9/h5H,1-4,6H2,(H,12,13)
InChIKeyBSVUDGNNYNCMKX-UHFFFAOYSA-N
XLogP3.60
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

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CID 131091806
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CID 137955972
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CID 20785903
CID 20785903

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-fluorocyclopentyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-bromo-N-[(1-fluorocyclopentyl)methyl]-1,3-thiazol-2-amine (CID 130670250) is 5-bromo-N-[(1-fluorocyclopentyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-bromo-N-[(1-fluorocyclopentyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-bromo-N-[(1-fluorocyclopentyl)methyl]-1,3-thiazol-2-amine is FC1(CNc2ncc(Br)s2)CCCC1.
What is the InChIKey of 5-bromo-N-[(1-fluorocyclopentyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is BSVUDGNNYNCMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrFN2S/c10-7-5-12-8(14-7)13-6-9(11)3-1-2-4-9/h5H,1-4,6H2,(H,12,13).
What are the key properties of 5-bromo-N-[(1-fluorocyclopentyl)methyl]-1,3-thiazol-2-amine?
5-bromo-N-[(1-fluorocyclopentyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 279.18 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-fluorocyclopentyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 130670250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).