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

C5H7F2N3S — CID 102768855

IUPAC2-N-(2,2-difluoroethyl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NCC(F)F)s1
InChIInChI=1S/C5H7F2N3S/c6-3(7)1-9-5-10-2-4(8)11-5/h2-3H,1,8H2,(H,9,10)
InChIKeyWZBIQUXVLHKTBR-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.40
Rot. Bonds3

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

2-N-(2,2-difluoroethyl)-1,3-thiazole-2,5-diamine (PubChem CID 102768855) has the molecular formula C5H7F2N3S and a molecular weight of 179.20 g/mol. Its IUPAC name is 2-N-(2,2-difluoroethyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(2,2-difluoroethyl)-1,3-thiazole-2,5-diamine
PubChem CID102768855
Molecular FormulaC5H7F2N3S
Molecular Weight179.20 g/mol
Exact Mass179.03
IUPAC Name2-N-(2,2-difluoroethyl)-1,3-thiazole-2,5-diamine
SMILESNc1cnc(NCC(F)F)s1
InChIInChI=1S/C5H7F2N3S/c6-3(7)1-9-5-10-2-4(8)11-5/h2-3H,1,8H2,(H,9,10)
InChIKeyWZBIQUXVLHKTBR-UHFFFAOYSA-N
XLogP1.40
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,2-difluoroethyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N-(2,2-difluoroethyl)-1,3-thiazole-2,5-diamine (CID 102768855) is 2-N-(2,2-difluoroethyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N-(2,2-difluoroethyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N-(2,2-difluoroethyl)-1,3-thiazole-2,5-diamine is Nc1cnc(NCC(F)F)s1.
What is the InChIKey of 2-N-(2,2-difluoroethyl)-1,3-thiazole-2,5-diamine?
The InChIKey is WZBIQUXVLHKTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3S/c6-3(7)1-9-5-10-2-4(8)11-5/h2-3H,1,8H2,(H,9,10).
What are the key properties of 2-N-(2,2-difluoroethyl)-1,3-thiazole-2,5-diamine?
2-N-(2,2-difluoroethyl)-1,3-thiazole-2,5-diamine has a molecular weight of 179.20 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,2-difluoroethyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 102768855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).