2-(3,3-difluorocyclopentyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

C12H19F2N3S — CID 114225762

IUPAC2-(3,3-difluorocyclopentyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCC(C)c1nnsc1C(N)CC1CCC(F)(F)C1
InChIInChI=1S/C12H19F2N3S/c1-7(2)10-11(18-17-16-10)9(15)5-8-3-4-12(13,14)6-8/h7-9H,3-6,15H2,1-2H3
InChIKeySQIGHHJFKIPCMY-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.49
Rot. Bonds4

About 2-(3,3-difluorocyclopentyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine

2-(3,3-difluorocyclopentyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (PubChem CID 114225762) has the molecular formula C12H19F2N3S and a molecular weight of 275.37 g/mol. Its IUPAC name is 2-(3,3-difluorocyclopentyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3,3-difluorocyclopentyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
PubChem CID114225762
Molecular FormulaC12H19F2N3S
Molecular Weight275.37 g/mol
Exact Mass275.13
IUPAC Name2-(3,3-difluorocyclopentyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
SMILESCC(C)c1nnsc1C(N)CC1CCC(F)(F)C1
InChIInChI=1S/C12H19F2N3S/c1-7(2)10-11(18-17-16-10)9(15)5-8-3-4-12(13,14)6-8/h7-9H,3-6,15H2,1-2H3
InChIKeySQIGHHJFKIPCMY-UHFFFAOYSA-N
XLogP3.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The IUPAC name of 2-(3,3-difluorocyclopentyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine (CID 114225762) is 2-(3,3-difluorocyclopentyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine.
What is the SMILES notation for 2-(3,3-difluorocyclopentyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The canonical SMILES for 2-(3,3-difluorocyclopentyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is CC(C)c1nnsc1C(N)CC1CCC(F)(F)C1.
What is the InChIKey of 2-(3,3-difluorocyclopentyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
The InChIKey is SQIGHHJFKIPCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2N3S/c1-7(2)10-11(18-17-16-10)9(15)5-8-3-4-12(13,14)6-8/h7-9H,3-6,15H2,1-2H3.
What are the key properties of 2-(3,3-difluorocyclopentyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine?
2-(3,3-difluorocyclopentyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine has a molecular weight of 275.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclopentyl)-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine is sourced from PubChem (CID 114225762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).