5-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,2-thiazole-3,5-diamine

C11H11F2N3S — CID 103360914

IUPAC5-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCc1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3S/c1-6-10(14)16-17-11(6)15-5-7-2-3-8(12)4-9(7)13/h2-4,15H,5H2,1H3,(H2,14,16)
InChIKeyVEMDGHRFSQCGLS-UHFFFAOYSA-N
MW255.29 g/mol
LogP2.92
Rot. Bonds3

About 5-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,2-thiazole-3,5-diamine

5-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103360914) has the molecular formula C11H11F2N3S and a molecular weight of 255.29 g/mol. Its IUPAC name is 5-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
PubChem CID103360914
Molecular FormulaC11H11F2N3S
Molecular Weight255.29 g/mol
Exact Mass255.06
IUPAC Name5-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1NCc1ccc(F)cc1F
InChIInChI=1S/C11H11F2N3S/c1-6-10(14)16-17-11(6)15-5-7-2-3-8(12)4-9(7)13/h2-4,15H,5H2,1H3,(H2,14,16)
InChIKeyVEMDGHRFSQCGLS-UHFFFAOYSA-N
XLogP2.92
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,2-thiazole-3,5-diamine (CID 103360914) is 5-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1NCc1ccc(F)cc1F.
What is the InChIKey of 5-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is VEMDGHRFSQCGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3S/c1-6-10(14)16-17-11(6)15-5-7-2-3-8(12)4-9(7)13/h2-4,15H,5H2,1H3,(H2,14,16).
What are the key properties of 5-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,2-thiazole-3,5-diamine?
5-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 255.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(2,4-difluorophenyl)methyl]-4-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).