5-(3,4-difluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine

C10H10F2N2S — CID 89285576

IUPAC5-(3,4-difluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine
SMILESCC1CC(c2cnc(N)s2)=CC(F)=C1F
InChIInChI=1S/C10H10F2N2S/c1-5-2-6(3-7(11)9(5)12)8-4-14-10(13)15-8/h3-5H,2H2,1H3,(H2,13,14)
InChIKeyUXFLGVXGQMMWMH-UHFFFAOYSA-N
MW228.27 g/mol
LogP3.30
Rot. Bonds1

About 5-(3,4-difluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine

5-(3,4-difluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine (PubChem CID 89285576) has the molecular formula C10H10F2N2S and a molecular weight of 228.27 g/mol. Its IUPAC name is 5-(3,4-difluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(3,4-difluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine
PubChem CID89285576
Molecular FormulaC10H10F2N2S
Molecular Weight228.27 g/mol
Exact Mass228.05
IUPAC Name5-(3,4-difluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine
SMILESCC1CC(c2cnc(N)s2)=CC(F)=C1F
InChIInChI=1S/C10H10F2N2S/c1-5-2-6(3-7(11)9(5)12)8-4-14-10(13)15-8/h3-5H,2H2,1H3,(H2,13,14)
InChIKeyUXFLGVXGQMMWMH-UHFFFAOYSA-N
XLogP3.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(3,4-difluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine (CID 89285576) is 5-(3,4-difluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(3,4-difluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(3,4-difluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine is CC1CC(c2cnc(N)s2)=CC(F)=C1F.
What is the InChIKey of 5-(3,4-difluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine?
The InChIKey is UXFLGVXGQMMWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2S/c1-5-2-6(3-7(11)9(5)12)8-4-14-10(13)15-8/h3-5H,2H2,1H3,(H2,13,14).
What are the key properties of 5-(3,4-difluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine?
5-(3,4-difluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine has a molecular weight of 228.27 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluoro-5-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 89285576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).