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

C8H11F2N3S — CID 103364766

IUPAC4-cyclopropyl-5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC(F)F)c1C1CC1
InChIInChI=1S/C8H11F2N3S/c9-5(10)3-12-8-6(4-1-2-4)7(11)13-14-8/h4-5,12H,1-3H2,(H2,11,13)
InChIKeyFWRWDZIDSYFDQG-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.28
Rot. Bonds4

About 4-cyclopropyl-5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine

4-cyclopropyl-5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103364766) has the molecular formula C8H11F2N3S and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-cyclopropyl-5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-cyclopropyl-5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103364766
Molecular FormulaC8H11F2N3S
Molecular Weight219.26 g/mol
Exact Mass219.06
IUPAC Name4-cyclopropyl-5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine
SMILESNc1nsc(NCC(F)F)c1C1CC1
InChIInChI=1S/C8H11F2N3S/c9-5(10)3-12-8-6(4-1-2-4)7(11)13-14-8/h4-5,12H,1-3H2,(H2,11,13)
InChIKeyFWRWDZIDSYFDQG-UHFFFAOYSA-N
XLogP2.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-cyclopropyl-5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine (CID 103364766) is 4-cyclopropyl-5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-cyclopropyl-5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-cyclopropyl-5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine is Nc1nsc(NCC(F)F)c1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is FWRWDZIDSYFDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3S/c9-5(10)3-12-8-6(4-1-2-4)7(11)13-14-8/h4-5,12H,1-3H2,(H2,11,13).
What are the key properties of 4-cyclopropyl-5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine?
4-cyclopropyl-5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 219.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103364766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).