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

C9H14F3N3S2 — CID 103360721

IUPAC4-methylsulfanyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCCCN(CC(F)(F)F)c1snc(N)c1SC
InChIInChI=1S/C9H14F3N3S2/c1-3-4-15(5-9(10,11)12)8-6(16-2)7(13)14-17-8/h3-5H2,1-2H3,(H2,13,14)
InChIKeyRLIXDTPDZRAOBB-UHFFFAOYSA-N
MW285.36 g/mol
LogP3.23
Rot. Bonds5

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

4-methylsulfanyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360721) has the molecular formula C9H14F3N3S2 and a molecular weight of 285.36 g/mol. Its IUPAC name is 4-methylsulfanyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methylsulfanyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
PubChem CID103360721
Molecular FormulaC9H14F3N3S2
Molecular Weight285.36 g/mol
Exact Mass285.06
IUPAC Name4-methylsulfanyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine
SMILESCCCN(CC(F)(F)F)c1snc(N)c1SC
InChIInChI=1S/C9H14F3N3S2/c1-3-4-15(5-9(10,11)12)8-6(16-2)7(13)14-17-8/h3-5H2,1-2H3,(H2,13,14)
InChIKeyRLIXDTPDZRAOBB-UHFFFAOYSA-N
XLogP3.23
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methylsulfanyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine (CID 103360721) is 4-methylsulfanyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methylsulfanyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methylsulfanyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is CCCN(CC(F)(F)F)c1snc(N)c1SC.
What is the InChIKey of 4-methylsulfanyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is RLIXDTPDZRAOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3S2/c1-3-4-15(5-9(10,11)12)8-6(16-2)7(13)14-17-8/h3-5H2,1-2H3,(H2,13,14).
What are the key properties of 4-methylsulfanyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine?
4-methylsulfanyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 285.36 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).