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

C7H11F2N3S — CID 103365692

IUPAC5-N-(2,2-difluoroethyl)-5-N,4-dimethyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1N(C)CC(F)F
InChIInChI=1S/C7H11F2N3S/c1-4-6(10)11-13-7(4)12(2)3-5(8)9/h5H,3H2,1-2H3,(H2,10,11)
InChIKeyZTIVITPLDVXCJO-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.74
Rot. Bonds3

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

5-N-(2,2-difluoroethyl)-5-N,4-dimethyl-1,2-thiazole-3,5-diamine (PubChem CID 103365692) has the molecular formula C7H11F2N3S and a molecular weight of 207.25 g/mol. Its IUPAC name is 5-N-(2,2-difluoroethyl)-5-N,4-dimethyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2,2-difluoroethyl)-5-N,4-dimethyl-1,2-thiazole-3,5-diamine
PubChem CID103365692
Molecular FormulaC7H11F2N3S
Molecular Weight207.25 g/mol
Exact Mass207.06
IUPAC Name5-N-(2,2-difluoroethyl)-5-N,4-dimethyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1N(C)CC(F)F
InChIInChI=1S/C7H11F2N3S/c1-4-6(10)11-13-7(4)12(2)3-5(8)9/h5H,3H2,1-2H3,(H2,10,11)
InChIKeyZTIVITPLDVXCJO-UHFFFAOYSA-N
XLogP1.74
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-methyl-4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360590
5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360596
4-methylsulfanyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360691
4-methyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360697
5-N-ethyl-4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360701
5-N-ethyl-4-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360706
4-methylsulfanyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360721
4-methyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360727
4-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103361148
4-Methyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,2-thiazol-3-amine
CID 103362746
5-N-methyl-4-methylsulfanyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103363216
5-N,4-dimethyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103363222

Frequently Asked Questions

What is the IUPAC name of 5-N-(2,2-difluoroethyl)-5-N,4-dimethyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2,2-difluoroethyl)-5-N,4-dimethyl-1,2-thiazole-3,5-diamine (CID 103365692) is 5-N-(2,2-difluoroethyl)-5-N,4-dimethyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2,2-difluoroethyl)-5-N,4-dimethyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2,2-difluoroethyl)-5-N,4-dimethyl-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1N(C)CC(F)F.
What is the InChIKey of 5-N-(2,2-difluoroethyl)-5-N,4-dimethyl-1,2-thiazole-3,5-diamine?
The InChIKey is ZTIVITPLDVXCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3S/c1-4-6(10)11-13-7(4)12(2)3-5(8)9/h5H,3H2,1-2H3,(H2,10,11).
What are the key properties of 5-N-(2,2-difluoroethyl)-5-N,4-dimethyl-1,2-thiazole-3,5-diamine?
5-N-(2,2-difluoroethyl)-5-N,4-dimethyl-1,2-thiazole-3,5-diamine has a molecular weight of 207.25 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2,2-difluoroethyl)-5-N,4-dimethyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).