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

C9H6F2N2S — CID 706326

IUPAC4-(3,4-difluorophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C9H6F2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
InChIKeyNDCSJUJQMRFHEX-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.67
Rot. Bonds1

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

4-(3,4-difluorophenyl)-1,3-thiazol-2-amine (PubChem CID 706326) has the molecular formula C9H6F2N2S and a molecular weight of 212.22 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-1,3-thiazol-2-amine
PubChem CID706326
Molecular FormulaC9H6F2N2S
Molecular Weight212.22 g/mol
Exact Mass212.02
IUPAC Name4-(3,4-difluorophenyl)-1,3-thiazol-2-amine
SMILESNc1nc(-c2ccc(F)c(F)c2)cs1
InChIInChI=1S/C9H6F2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
InChIKeyNDCSJUJQMRFHEX-UHFFFAOYSA-N
XLogP2.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Phenyl-N-(2-phenylethyl)-2-thiazolamine
CID 54339
2-Amino-4,5-diphenylthiazole
CID 73222
2-Amino-4-(p-nitrophenyl)thiazole
CID 16420
2-Amino-4-phenylthiazole
CID 40302
2-Amino-4-phenyl-5-methylthiazole
CID 96129
2-Amino-4-(4-biphenylyl)thiazole
CID 76075
4-(2-Chlorophenyl)-1,3-thiazol-2-amine
CID 224764
4-(4-Ethylphenyl)-5-methyl-1,3-thiazol-2-amine
CID 854786
2-Amino-4-phenylthiazole hydrobromide monohydrate
CID 40301
4-(2-Naphthyl)-1,3-thiazol-2-amine
CID 673702
2-Amino-4-(4-chlorophenyl)thiazole
CID 73241
4-(2-Methylphenyl)-1,3-thiazol-2-amine
CID 220174

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-difluorophenyl)-1,3-thiazol-2-amine (CID 706326) is 4-(3,4-difluorophenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-difluorophenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-difluorophenyl)-1,3-thiazol-2-amine is Nc1nc(-c2ccc(F)c(F)c2)cs1.
What is the InChIKey of 4-(3,4-difluorophenyl)-1,3-thiazol-2-amine?
The InChIKey is NDCSJUJQMRFHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13).
What are the key properties of 4-(3,4-difluorophenyl)-1,3-thiazol-2-amine?
4-(3,4-difluorophenyl)-1,3-thiazol-2-amine has a molecular weight of 212.22 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 706326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).