5-N-(1,1-difluoropropan-2-yl)-1,2-thiazole-3,5-diamine

C6H9F2N3S — CID 127011540

IUPAC5-N-(1,1-difluoropropan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCC(Nc1cc(N)ns1)C(F)F
InChIInChI=1S/C6H9F2N3S/c1-3(6(7)8)10-5-2-4(9)11-12-5/h2-3,6,10H,1H3,(H2,9,11)
InChIKeySAVLRALQZNPTTG-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.79
Rot. Bonds3

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

5-N-(1,1-difluoropropan-2-yl)-1,2-thiazole-3,5-diamine (PubChem CID 127011540) has the molecular formula C6H9F2N3S and a molecular weight of 193.22 g/mol. Its IUPAC name is 5-N-(1,1-difluoropropan-2-yl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1,1-difluoropropan-2-yl)-1,2-thiazole-3,5-diamine
PubChem CID127011540
Molecular FormulaC6H9F2N3S
Molecular Weight193.22 g/mol
Exact Mass193.05
IUPAC Name5-N-(1,1-difluoropropan-2-yl)-1,2-thiazole-3,5-diamine
SMILESCC(Nc1cc(N)ns1)C(F)F
InChIInChI=1S/C6H9F2N3S/c1-3(6(7)8)10-5-2-4(9)11-12-5/h2-3,6,10H,1H3,(H2,9,11)
InChIKeySAVLRALQZNPTTG-UHFFFAOYSA-N
XLogP1.79
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360598
5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360699
5-N-ethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360709
5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360729
5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361151
5-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 103361721
5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103363225
5-N-(2,2-difluoroethyl)-1,2-thiazole-3,5-diamine
CID 103364768
5-N-(4,4,4-trifluorobutyl)-1,2-thiazole-3,5-diamine
CID 103364953
5-N-(5,5,5-trifluoropentyl)-1,2-thiazole-3,5-diamine
CID 103364979
5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103365695
5-N-[2-(2,2-difluoroethoxy)ethyl]-1,2-thiazole-3,5-diamine
CID 105923643

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,1-difluoropropan-2-yl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(1,1-difluoropropan-2-yl)-1,2-thiazole-3,5-diamine (CID 127011540) is 5-N-(1,1-difluoropropan-2-yl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1,1-difluoropropan-2-yl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(1,1-difluoropropan-2-yl)-1,2-thiazole-3,5-diamine is CC(Nc1cc(N)ns1)C(F)F.
What is the InChIKey of 5-N-(1,1-difluoropropan-2-yl)-1,2-thiazole-3,5-diamine?
The InChIKey is SAVLRALQZNPTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3S/c1-3(6(7)8)10-5-2-4(9)11-12-5/h2-3,6,10H,1H3,(H2,9,11).
What are the key properties of 5-N-(1,1-difluoropropan-2-yl)-1,2-thiazole-3,5-diamine?
5-N-(1,1-difluoropropan-2-yl)-1,2-thiazole-3,5-diamine has a molecular weight of 193.22 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,1-difluoropropan-2-yl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 127011540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).