4-methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazol-2-amine

C7H9F3N2S2 — CID 64564844

IUPAC4-methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCCC(F)(F)F
InChIInChI=1S/C7H9F3N2S2/c1-4-5(14-6(11)12-4)13-3-2-7(8,9)10/h2-3H2,1H3,(H2,11,12)
InChIKeyRQFROSMOSNWRBK-UHFFFAOYSA-N
MW242.29 g/mol
LogP3.08
Rot. Bonds3

About 4-methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazol-2-amine

4-methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazol-2-amine (PubChem CID 64564844) has the molecular formula C7H9F3N2S2 and a molecular weight of 242.29 g/mol. Its IUPAC name is 4-methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazol-2-amine
PubChem CID64564844
Molecular FormulaC7H9F3N2S2
Molecular Weight242.29 g/mol
Exact Mass242.02
IUPAC Name4-methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCCC(F)(F)F
InChIInChI=1S/C7H9F3N2S2/c1-4-5(14-6(11)12-4)13-3-2-7(8,9)10/h2-3H2,1H3,(H2,11,12)
InChIKeyRQFROSMOSNWRBK-UHFFFAOYSA-N
XLogP3.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazol-2-amine (CID 64564844) is 4-methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazol-2-amine is Cc1nc(N)sc1SCCC(F)(F)F.
What is the InChIKey of 4-methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazol-2-amine?
The InChIKey is RQFROSMOSNWRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S2/c1-4-5(14-6(11)12-4)13-3-2-7(8,9)10/h2-3H2,1H3,(H2,11,12).
What are the key properties of 4-methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazol-2-amine?
4-methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazol-2-amine has a molecular weight of 242.29 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3,3,3-trifluoropropylsulfanyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 64564844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).