5-(2-chloro-4,5-difluorophenyl)-1,3-thiazol-2-amine

C9H5ClF2N2S — CID 107476819

IUPAC5-(2-chloro-4,5-difluorophenyl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cc(F)c(F)cc2Cl)s1
InChIInChI=1S/C9H5ClF2N2S/c10-5-2-7(12)6(11)1-4(5)8-3-14-9(13)15-8/h1-3H,(H2,13,14)
InChIKeyVDYRWGZQTASGEI-UHFFFAOYSA-N
MW246.67 g/mol
LogP3.32
Rot. Bonds1

About 5-(2-chloro-4,5-difluorophenyl)-1,3-thiazol-2-amine

5-(2-chloro-4,5-difluorophenyl)-1,3-thiazol-2-amine (PubChem CID 107476819) has the molecular formula C9H5ClF2N2S and a molecular weight of 246.67 g/mol. Its IUPAC name is 5-(2-chloro-4,5-difluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloro-4,5-difluorophenyl)-1,3-thiazol-2-amine
PubChem CID107476819
Molecular FormulaC9H5ClF2N2S
Molecular Weight246.67 g/mol
Exact Mass245.98
IUPAC Name5-(2-chloro-4,5-difluorophenyl)-1,3-thiazol-2-amine
SMILESNc1ncc(-c2cc(F)c(F)cc2Cl)s1
InChIInChI=1S/C9H5ClF2N2S/c10-5-2-7(12)6(11)1-4(5)8-3-14-9(13)15-8/h1-3H,(H2,13,14)
InChIKeyVDYRWGZQTASGEI-UHFFFAOYSA-N
XLogP3.32
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-(2-fluoro-4,5-dimethylphenyl)-1,3-thiazol-2-amine
CID 164892371
5-(4-fluoro-2,6-dimethylphenyl)-1,3-thiazol-2-amine
CID 106878977
5-(2,4-dimethylphenyl)-1,3-thiazol-2-amine
CID 61025121
5-(2-fluoro-3-iodophenyl)-1,3-thiazol-2-amine
CID 164893855
5-(3-chlorothiophen-2-yl)-1,3-thiazol-2-amine
CID 107360465
3-(2-chloro-4,5-difluorophenyl)pyridin-2-amine
CID 107476818
5-[3-chloro-4-(trifluoromethoxy)phenyl]-1,3-thiazol-2-amine
CID 164893356
5-(3-bromo-5-chlorophenyl)-1,3-thiazol-2-amine
CID 164892159
(2-amino-1,3-thiazol-5-yl)-(2,4,5-trifluorophenyl)methanol
CID 114058083
5-(4-chloro-1-methylpyrazol-5-yl)-1,3-thiazol-2-amine
CID 114663431
8-chloro-5-fluoroisoquinolin-3-amine
CID 53419050
5-(5-bromo-2-ethoxyphenyl)-1,3-thiazol-2-amine
CID 164893337

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4,5-difluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-chloro-4,5-difluorophenyl)-1,3-thiazol-2-amine (CID 107476819) is 5-(2-chloro-4,5-difluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-chloro-4,5-difluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-chloro-4,5-difluorophenyl)-1,3-thiazol-2-amine is Nc1ncc(-c2cc(F)c(F)cc2Cl)s1.
What is the InChIKey of 5-(2-chloro-4,5-difluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is VDYRWGZQTASGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2S/c10-5-2-7(12)6(11)1-4(5)8-3-14-9(13)15-8/h1-3H,(H2,13,14).
What are the key properties of 5-(2-chloro-4,5-difluorophenyl)-1,3-thiazol-2-amine?
5-(2-chloro-4,5-difluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 246.67 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4,5-difluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 107476819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).