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

C6H8F3N3S2 — CID 103363593

IUPAC4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCC(F)(F)F
InChIInChI=1S/C6H8F3N3S2/c1-13-3-4(10)12-14-5(3)11-2-6(7,8)9/h11H,2H2,1H3,(H2,10,12)
InChIKeyBEGUHBFTKNUAKM-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.42
Rot. Bonds3

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

4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103363593) has the molecular formula C6H8F3N3S2 and a molecular weight of 243.28 g/mol. Its IUPAC name is 4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103363593
Molecular FormulaC6H8F3N3S2
Molecular Weight243.28 g/mol
Exact Mass243.01
IUPAC Name4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCC(F)(F)F
InChIInChI=1S/C6H8F3N3S2/c1-13-3-4(10)12-14-5(3)11-2-6(7,8)9/h11H,2H2,1H3,(H2,10,12)
InChIKeyBEGUHBFTKNUAKM-UHFFFAOYSA-N
XLogP2.42
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103363593) is 4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NCC(F)(F)F.
What is the InChIKey of 4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is BEGUHBFTKNUAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3S2/c1-13-3-4(10)12-14-5(3)11-2-6(7,8)9/h11H,2H2,1H3,(H2,10,12).
What are the key properties of 4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 243.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103363593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).