4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine

C7H9F3N2S — CID 63226789

IUPAC4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
SMILESCc1csc(NCCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2S/c1-5-4-13-6(12-5)11-3-2-7(8,9)10/h4H,2-3H2,1H3,(H,11,12)
InChIKeyKCGNZOJBTCHZHT-UHFFFAOYSA-N
MW210.22 g/mol
LogP2.82
Rot. Bonds3

About 4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine

4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine (PubChem CID 63226789) has the molecular formula C7H9F3N2S and a molecular weight of 210.22 g/mol. Its IUPAC name is 4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
PubChem CID63226789
Molecular FormulaC7H9F3N2S
Molecular Weight210.22 g/mol
Exact Mass210.04
IUPAC Name4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine
SMILESCc1csc(NCCC(F)(F)F)n1
InChIInChI=1S/C7H9F3N2S/c1-5-4-13-6(12-5)11-3-2-7(8,9)10/h4H,2-3H2,1H3,(H,11,12)
InChIKeyKCGNZOJBTCHZHT-UHFFFAOYSA-N
XLogP2.82
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine (CID 63226789) is 4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine is Cc1csc(NCCC(F)(F)F)n1.
What is the InChIKey of 4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
The InChIKey is KCGNZOJBTCHZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2S/c1-5-4-13-6(12-5)11-3-2-7(8,9)10/h4H,2-3H2,1H3,(H,11,12).
What are the key properties of 4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine?
4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine has a molecular weight of 210.22 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3,3,3-trifluoropropyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 63226789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).