5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine

C7H10F3N3S — CID 103363225

IUPAC5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
SMILESCN(CCC(F)(F)F)c1cc(N)ns1
InChIInChI=1S/C7H10F3N3S/c1-13(3-2-7(8,9)10)6-4-5(11)12-14-6/h4H,2-3H2,1H3,(H2,11,12)
InChIKeyZSFPXODAMDZXSM-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.11
Rot. Bonds3

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

5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103363225) has the molecular formula C7H10F3N3S and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
PubChem CID103363225
Molecular FormulaC7H10F3N3S
Molecular Weight225.24 g/mol
Exact Mass225.05
IUPAC Name5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
SMILESCN(CCC(F)(F)F)c1cc(N)ns1
InChIInChI=1S/C7H10F3N3S/c1-13(3-2-7(8,9)10)6-4-5(11)12-14-6/h4H,2-3H2,1H3,(H2,11,12)
InChIKeyZSFPXODAMDZXSM-UHFFFAOYSA-N
XLogP2.11
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.11
H-Bond Donors ≤ 51
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-[3-(Trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 103363231
5-[4-(Trifluoromethyl)piperidin-1-yl]-1,2-thiazol-3-amine
CID 103363237
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-(4,4,4-trifluorobutan-2-yl)-1,2-thiazole-3,5-diamine
CID 105942324

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine (CID 103363225) is 5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine is CN(CCC(F)(F)F)c1cc(N)ns1.
What is the InChIKey of 5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is ZSFPXODAMDZXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S/c1-13(3-2-7(8,9)10)6-4-5(11)12-14-6/h4H,2-3H2,1H3,(H2,11,12).
What are the key properties of 5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine?
5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 225.24 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).