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

C11H11F2N3S2 — CID 103360170

IUPAC5-N-[(3,4-difluorophenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCc1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2N3S2/c1-17-9-10(14)16-18-11(9)15-5-6-2-3-7(12)8(13)4-6/h2-4,15H,5H2,1H3,(H2,14,16)
InChIKeyNCZWVYQNMVNFHC-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.34
Rot. Bonds4

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

5-N-[(3,4-difluorophenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine (PubChem CID 103360170) has the molecular formula C11H11F2N3S2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-N-[(3,4-difluorophenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(3,4-difluorophenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
PubChem CID103360170
Molecular FormulaC11H11F2N3S2
Molecular Weight287.36 g/mol
Exact Mass287.04
IUPAC Name5-N-[(3,4-difluorophenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine
SMILESCSc1c(N)nsc1NCc1ccc(F)c(F)c1
InChIInChI=1S/C11H11F2N3S2/c1-17-9-10(14)16-18-11(9)15-5-6-2-3-7(12)8(13)4-6/h2-4,15H,5H2,1H3,(H2,14,16)
InChIKeyNCZWVYQNMVNFHC-UHFFFAOYSA-N
XLogP3.34
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-[(3,4-difluorophenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(3,4-difluorophenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine (CID 103360170) is 5-N-[(3,4-difluorophenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(3,4-difluorophenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(3,4-difluorophenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine is CSc1c(N)nsc1NCc1ccc(F)c(F)c1.
What is the InChIKey of 5-N-[(3,4-difluorophenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
The InChIKey is NCZWVYQNMVNFHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3S2/c1-17-9-10(14)16-18-11(9)15-5-6-2-3-7(12)8(13)4-6/h2-4,15H,5H2,1H3,(H2,14,16).
What are the key properties of 5-N-[(3,4-difluorophenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine?
5-N-[(3,4-difluorophenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine has a molecular weight of 287.36 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3,4-difluorophenyl)methyl]-4-methylsulfanyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).