2-N-(3,3-difluorocyclopentyl)-1,3-thiazole-2,5-diamine

C8H11F2N3S — CID 130626834

IUPAC2-N-(3,3-difluorocyclopentyl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NC2CCC(F)(F)C2)s1
InChIInChI=1S/C8H11F2N3S/c9-8(10)2-1-5(3-8)13-7-12-4-6(11)14-7/h4-5H,1-3,11H2,(H,12,13)
InChIKeyKRENQSZLMIOSPW-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.33
Rot. Bonds2

About 2-N-(3,3-difluorocyclopentyl)-1,3-thiazole-2,5-diamine

2-N-(3,3-difluorocyclopentyl)-1,3-thiazole-2,5-diamine (PubChem CID 130626834) has the molecular formula C8H11F2N3S and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-N-(3,3-difluorocyclopentyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(3,3-difluorocyclopentyl)-1,3-thiazole-2,5-diamine
PubChem CID130626834
Molecular FormulaC8H11F2N3S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name2-N-(3,3-difluorocyclopentyl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NC2CCC(F)(F)C2)s1
InChIInChI=1S/C8H11F2N3S/c9-8(10)2-1-5(3-8)13-7-12-4-6(11)14-7/h4-5H,1-3,11H2,(H,12,13)
InChIKeyKRENQSZLMIOSPW-UHFFFAOYSA-N
XLogP2.33
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(3,3-difluorocyclopentyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(3,3-difluorocyclopentyl)-1,3-thiazole-2,5-diamine (CID 130626834) is 2-N-(3,3-difluorocyclopentyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(3,3-difluorocyclopentyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(3,3-difluorocyclopentyl)-1,3-thiazole-2,5-diamine is Nc1cnc(NC2CCC(F)(F)C2)s1.
What is the InChIKey of 2-N-(3,3-difluorocyclopentyl)-1,3-thiazole-2,5-diamine?
The InChIKey is KRENQSZLMIOSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3S/c9-8(10)2-1-5(3-8)13-7-12-4-6(11)14-7/h4-5H,1-3,11H2,(H,12,13).
What are the key properties of 2-N-(3,3-difluorocyclopentyl)-1,3-thiazole-2,5-diamine?
2-N-(3,3-difluorocyclopentyl)-1,3-thiazole-2,5-diamine has a molecular weight of 219.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,3-difluorocyclopentyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 130626834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).