5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-amine

C10H8F2N2S — CID 16778519

IUPAC5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2ccc(F)c(F)c2)s1
InChIInChI=1S/C10H8F2N2S/c11-8-2-1-6(4-9(8)12)3-7-5-14-10(13)15-7/h1-2,4-5H,3H2,(H2,13,14)
InChIKeyHVSCSXQMDYDCSA-UHFFFAOYSA-N
MW226.25 g/mol
LogP2.59
Rot. Bonds2

About 5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-amine

5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 16778519) has the molecular formula C10H8F2N2S and a molecular weight of 226.25 g/mol. Its IUPAC name is 5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID16778519
Molecular FormulaC10H8F2N2S
Molecular Weight226.25 g/mol
Exact Mass226.04
IUPAC Name5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESNc1ncc(Cc2ccc(F)c(F)c2)s1
InChIInChI=1S/C10H8F2N2S/c11-8-2-1-6(4-9(8)12)3-7-5-14-10(13)15-7/h1-2,4-5H,3H2,(H2,13,14)
InChIKeyHVSCSXQMDYDCSA-UHFFFAOYSA-N
XLogP2.59
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-amine (CID 16778519) is 5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-amine is Nc1ncc(Cc2ccc(F)c(F)c2)s1.
What is the InChIKey of 5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is HVSCSXQMDYDCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2S/c11-8-2-1-6(4-9(8)12)3-7-5-14-10(13)15-7/h1-2,4-5H,3H2,(H2,13,14).
What are the key properties of 5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-amine?
5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 226.25 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 16778519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).