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

C11H10F2N2S — CID 17457742

IUPAC4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(F)cc2F)c(C)s1
InChIInChI=1S/C11H10F2N2S/c1-6-10(15-11(14-2)16-6)8-4-3-7(12)5-9(8)13/h3-5H,1-2H3,(H,14,15)
InChIKeyMSHXUQSRWLKLSR-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.44
Rot. Bonds2

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

4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine (PubChem CID 17457742) has the molecular formula C11H10F2N2S and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine
PubChem CID17457742
Molecular FormulaC11H10F2N2S
Molecular Weight240.28 g/mol
Exact Mass240.05
IUPAC Name4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2ccc(F)cc2F)c(C)s1
InChIInChI=1S/C11H10F2N2S/c1-6-10(15-11(14-2)16-6)8-4-3-7(12)5-9(8)13/h3-5H,1-2H3,(H,14,15)
InChIKeyMSHXUQSRWLKLSR-UHFFFAOYSA-N
XLogP3.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine (CID 17457742) is 4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine is CNc1nc(-c2ccc(F)cc2F)c(C)s1.
What is the InChIKey of 4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine?
The InChIKey is MSHXUQSRWLKLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N2S/c1-6-10(15-11(14-2)16-6)8-4-3-7(12)5-9(8)13/h3-5H,1-2H3,(H,14,15).
What are the key properties of 4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine?
4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine has a molecular weight of 240.28 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-N,5-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 17457742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).