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

C14H16F2N2OS — CID 87578146

IUPACN-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)COc1c(F)cc(Nc2nccs2)cc1F
InChIInChI=1S/C14H16F2N2OS/c1-14(2,3)8-19-12-10(15)6-9(7-11(12)16)18-13-17-4-5-20-13/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyGMJZVFJUNAKCAO-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.59
Rot. Bonds4

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

N-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-amine (PubChem CID 87578146) has the molecular formula C14H16F2N2OS and a molecular weight of 298.36 g/mol. Its IUPAC name is N-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-amine
PubChem CID87578146
Molecular FormulaC14H16F2N2OS
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC NameN-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-amine
SMILESCC(C)(C)COc1c(F)cc(Nc2nccs2)cc1F
InChIInChI=1S/C14H16F2N2OS/c1-14(2,3)8-19-12-10(15)6-9(7-11(12)16)18-13-17-4-5-20-13/h4-7H,8H2,1-3H3,(H,17,18)
InChIKeyGMJZVFJUNAKCAO-UHFFFAOYSA-N
XLogP4.59
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-amine (CID 87578146) is N-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-amine is CC(C)(C)COc1c(F)cc(Nc2nccs2)cc1F.
What is the InChIKey of N-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-amine?
The InChIKey is GMJZVFJUNAKCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2OS/c1-14(2,3)8-19-12-10(15)6-9(7-11(12)16)18-13-17-4-5-20-13/h4-7H,8H2,1-3H3,(H,17,18).
What are the key properties of N-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-amine?
N-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-amine has a molecular weight of 298.36 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethylpropoxy)-3,5-difluorophenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 87578146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).