4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine

C9H7F2N3S — CID 82342230

IUPAC4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine
SMILESNc1nc(-c2cc(F)ccc2F)c(N)s1
InChIInChI=1S/C9H7F2N3S/c10-4-1-2-6(11)5(3-4)7-8(12)15-9(13)14-7/h1-3H,12H2,(H2,13,14)
InChIKeyKGXIJSXYTXFSHC-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.25
Rot. Bonds1

About 4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine

4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine (PubChem CID 82342230) has the molecular formula C9H7F2N3S and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine
PubChem CID82342230
Molecular FormulaC9H7F2N3S
Molecular Weight227.24 g/mol
Exact Mass227.03
IUPAC Name4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine
SMILESNc1nc(-c2cc(F)ccc2F)c(N)s1
InChIInChI=1S/C9H7F2N3S/c10-4-1-2-6(11)5(3-4)7-8(12)15-9(13)14-7/h1-3H,12H2,(H2,13,14)
InChIKeyKGXIJSXYTXFSHC-UHFFFAOYSA-N
XLogP2.25
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-(2,4-difluorophenyl)-1,3-thiazol-5-amine
CID 62077686
4-(2,4-difluorophenyl)-2-phenyl-1,3-thiazol-5-amine
CID 62076324
3-(2,5-difluorophenyl)-4-fluoroaniline
CID 104781179
4-(2-fluorophenyl)-5-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 82106645
4-(2,5-difluorophenyl)-2-(methylamino)-1,3-thiazole-5-carbonitrile
CID 116867209
1-[4-(2,5-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]ethanol
CID 116867625
4-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]aniline
CID 43667850
2-(2,5-difluorophenyl)-4,5-dimethyl-1,3-thiazole
CID 116887626
2-(2,5-difluorophenyl)pyrimidin-5-amine
CID 82283374
6-fluoro-1,3-benzothiazol-2-amine;hydrobromide
CID 139217681
2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine
CID 62125233
4-(3-fluoro-4-propan-2-yloxyphenyl)-1,3-thiazole-2,5-diamine
CID 82487308

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine?
The IUPAC name of 4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine (CID 82342230) is 4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine?
The canonical SMILES for 4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine is Nc1nc(-c2cc(F)ccc2F)c(N)s1.
What is the InChIKey of 4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine?
The InChIKey is KGXIJSXYTXFSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3S/c10-4-1-2-6(11)5(3-4)7-8(12)15-9(13)14-7/h1-3H,12H2,(H2,13,14).
What are the key properties of 4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine?
4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine has a molecular weight of 227.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorophenyl)-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 82342230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).