5-N-methyl-4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

C7H10F3N3S2 — CID 103360590

IUPAC5-N-methyl-4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1N(C)CC(F)(F)F
InChIInChI=1S/C7H10F3N3S2/c1-13(3-7(8,9)10)6-4(14-2)5(11)12-15-6/h3H2,1-2H3,(H2,11,12)
InChIKeyXRFKIKAJHQTZAT-UHFFFAOYSA-N
MW257.31 g/mol
LogP2.45
Rot. Bonds3

About 5-N-methyl-4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine

5-N-methyl-4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360590) has the molecular formula C7H10F3N3S2 and a molecular weight of 257.31 g/mol. Its IUPAC name is 5-N-methyl-4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-methyl-4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103360590
Molecular FormulaC7H10F3N3S2
Molecular Weight257.31 g/mol
Exact Mass257.03
IUPAC Name5-N-methyl-4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1N(C)CC(F)(F)F
InChIInChI=1S/C7H10F3N3S2/c1-13(3-7(8,9)10)6-4(14-2)5(11)12-15-6/h3H2,1-2H3,(H2,11,12)
InChIKeyXRFKIKAJHQTZAT-UHFFFAOYSA-N
XLogP2.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropylsulfonyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349059
4-cyclopropylsulfonyl-5-N-ethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103349076
4-cyclopropylsulfonyl-5-N-methyl-5-N-(3,3,3-trifluoropropyl)-1,2-thiazole-3,5-diamine
CID 103349466
4-cyclopropylsulfonyl-5-N-(2,2-difluoroethyl)-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103349847
4-ethylsulfonyl-5-N-methyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360591
5-N,4-dimethyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360596
5-N-methyl-4-propylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360599
4-methylsulfanyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360691
4-ethylsulfonyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360692
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-ethylsulfonyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
CID 103360702

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-methyl-4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103360590) is 5-N-methyl-4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-methyl-4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-methyl-4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1N(C)CC(F)(F)F.
What is the InChIKey of 5-N-methyl-4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is XRFKIKAJHQTZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3S2/c1-13(3-7(8,9)10)6-4(14-2)5(11)12-15-6/h3H2,1-2H3,(H2,11,12).
What are the key properties of 5-N-methyl-4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
5-N-methyl-4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 257.31 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).