3-fluoro-3-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine

C9H13FN2S — CID 112565593

IUPAC3-fluoro-3-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine
SMILESNC1CCC(F)(Cc2nccs2)C1
InChIInChI=1S/C9H13FN2S/c10-9(2-1-7(11)5-9)6-8-12-3-4-13-8/h3-4,7H,1-2,5-6,11H2
InChIKeyDUMPOESVWFCKNI-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.91
Rot. Bonds2

About 3-fluoro-3-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine

3-fluoro-3-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine (PubChem CID 112565593) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-fluoro-3-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine
PubChem CID112565593
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name3-fluoro-3-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine
SMILESNC1CCC(F)(Cc2nccs2)C1
InChIInChI=1S/C9H13FN2S/c10-9(2-1-7(11)5-9)6-8-12-3-4-13-8/h3-4,7H,1-2,5-6,11H2
InChIKeyDUMPOESVWFCKNI-UHFFFAOYSA-N
XLogP1.91
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 3-fluoro-3-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine (CID 112565593) is 3-fluoro-3-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 3-fluoro-3-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 3-fluoro-3-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine is NC1CCC(F)(Cc2nccs2)C1.
What is the InChIKey of 3-fluoro-3-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine?
The InChIKey is DUMPOESVWFCKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2S/c10-9(2-1-7(11)5-9)6-8-12-3-4-13-8/h3-4,7H,1-2,5-6,11H2.
What are the key properties of 3-fluoro-3-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine?
3-fluoro-3-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine has a molecular weight of 200.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(1,3-thiazol-2-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 112565593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).