5-N-(1,1-difluoropropan-2-yl)-1,2,4-thiadiazole-3,5-diamine

C5H8F2N4S — CID 127011518

IUPAC5-N-(1,1-difluoropropan-2-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESCC(Nc1nc(N)ns1)C(F)F
InChIInChI=1S/C5H8F2N4S/c1-2(3(6)7)9-5-10-4(8)11-12-5/h2-3H,1H3,(H3,8,9,10,11)
InChIKeyRCFMNJSANXHOQQ-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.19
Rot. Bonds3

About 5-N-(1,1-difluoropropan-2-yl)-1,2,4-thiadiazole-3,5-diamine

5-N-(1,1-difluoropropan-2-yl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 127011518) has the molecular formula C5H8F2N4S and a molecular weight of 194.21 g/mol. Its IUPAC name is 5-N-(1,1-difluoropropan-2-yl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1,1-difluoropropan-2-yl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID127011518
Molecular FormulaC5H8F2N4S
Molecular Weight194.21 g/mol
Exact Mass194.04
IUPAC Name5-N-(1,1-difluoropropan-2-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESCC(Nc1nc(N)ns1)C(F)F
InChIInChI=1S/C5H8F2N4S/c1-2(3(6)7)9-5-10-4(8)11-12-5/h2-3H,1H3,(H3,8,9,10,11)
InChIKeyRCFMNJSANXHOQQ-UHFFFAOYSA-N
XLogP1.19
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N,5-N-diethyl-1,2,4-thiadiazole-3,5-diamine
CID 44452499
5-N-butyl-1,2,4-thiadiazole-3,5-diamine
CID 2803931
5-N-ethyl-1,2,4-thiadiazole-3,5-diamine
CID 55281762
5-N-propyl-1,2,4-thiadiazole-3,5-diamine
CID 65440648
3-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine;hydrobromide
CID 21298776
3-(2,2,2-Trifluoroethyl)amino-5-amino-1,2,4-thiadiazole
CID 21298777
N-propan-2-yl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304640
N-propan-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-thiadiazol-5-amine
CID 65268712
5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66277938
5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66278327
5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66279236
5-N-ethyl-5-N-(2,2,2-trifluoroethyl)-1,2,4-thiadiazole-3,5-diamine
CID 66279237

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,1-difluoropropan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(1,1-difluoropropan-2-yl)-1,2,4-thiadiazole-3,5-diamine (CID 127011518) is 5-N-(1,1-difluoropropan-2-yl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1,1-difluoropropan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(1,1-difluoropropan-2-yl)-1,2,4-thiadiazole-3,5-diamine is CC(Nc1nc(N)ns1)C(F)F.
What is the InChIKey of 5-N-(1,1-difluoropropan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is RCFMNJSANXHOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4S/c1-2(3(6)7)9-5-10-4(8)11-12-5/h2-3H,1H3,(H3,8,9,10,11).
What are the key properties of 5-N-(1,1-difluoropropan-2-yl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(1,1-difluoropropan-2-yl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 194.21 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,1-difluoropropan-2-yl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 127011518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).