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

C5H8FN3S — CID 130505174

IUPAC5-N-(2-fluoroethyl)-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCCF)sn1
InChIInChI=1S/C5H8FN3S/c6-1-2-8-5-3-4(7)9-10-5/h3,8H,1-2H2,(H2,7,9)
InChIKeyVJDCJKUOCKLUKU-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.11
Rot. Bonds3

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

5-N-(2-fluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 130505174) has the molecular formula C5H8FN3S and a molecular weight of 161.21 g/mol. Its IUPAC name is 5-N-(2-fluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-fluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID130505174
Molecular FormulaC5H8FN3S
Molecular Weight161.21 g/mol
Exact Mass161.04
IUPAC Name5-N-(2-fluoroethyl)-1,2-thiazole-3,5-diamine
SMILESNc1cc(NCCF)sn1
InChIInChI=1S/C5H8FN3S/c6-1-2-8-5-3-4(7)9-10-5/h3,8H,1-2H2,(H2,7,9)
InChIKeyVJDCJKUOCKLUKU-UHFFFAOYSA-N
XLogP1.11
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-fluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-fluoroethyl)-1,2-thiazole-3,5-diamine (CID 130505174) is 5-N-(2-fluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-fluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-fluoroethyl)-1,2-thiazole-3,5-diamine is Nc1cc(NCCF)sn1.
What is the InChIKey of 5-N-(2-fluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is VJDCJKUOCKLUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3S/c6-1-2-8-5-3-4(7)9-10-5/h3,8H,1-2H2,(H2,7,9).
What are the key properties of 5-N-(2-fluoroethyl)-1,2-thiazole-3,5-diamine?
5-N-(2-fluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 161.21 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-fluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 130505174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).