4-[3,5-difluoro-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-amine

C14H16F2N2OS — CID 57461658

IUPAC4-[3,5-difluoro-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)CCOc1c(F)cc(-c2csc(N)n2)cc1F
InChIInChI=1S/C14H16F2N2OS/c1-8(2)3-4-19-13-10(15)5-9(6-11(13)16)12-7-20-14(17)18-12/h5-8H,3-4H2,1-2H3,(H2,17,18)
InChIKeyKZDHYDNVWZZLBY-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.10
Rot. Bonds5

About 4-[3,5-difluoro-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-amine

4-[3,5-difluoro-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-amine (PubChem CID 57461658) has the molecular formula C14H16F2N2OS and a molecular weight of 298.36 g/mol. Its IUPAC name is 4-[3,5-difluoro-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[3,5-difluoro-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-amine
PubChem CID57461658
Molecular FormulaC14H16F2N2OS
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name4-[3,5-difluoro-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-amine
SMILESCC(C)CCOc1c(F)cc(-c2csc(N)n2)cc1F
InChIInChI=1S/C14H16F2N2OS/c1-8(2)3-4-19-13-10(15)5-9(6-11(13)16)12-7-20-14(17)18-12/h5-8H,3-4H2,1-2H3,(H2,17,18)
InChIKeyKZDHYDNVWZZLBY-UHFFFAOYSA-N
XLogP4.10
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-difluoro-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[3,5-difluoro-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-amine (CID 57461658) is 4-[3,5-difluoro-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[3,5-difluoro-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[3,5-difluoro-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-amine is CC(C)CCOc1c(F)cc(-c2csc(N)n2)cc1F.
What is the InChIKey of 4-[3,5-difluoro-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-amine?
The InChIKey is KZDHYDNVWZZLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2OS/c1-8(2)3-4-19-13-10(15)5-9(6-11(13)16)12-7-20-14(17)18-12/h5-8H,3-4H2,1-2H3,(H2,17,18).
What are the key properties of 4-[3,5-difluoro-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-amine?
4-[3,5-difluoro-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-amine has a molecular weight of 298.36 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-difluoro-4-(3-methylbutoxy)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 57461658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).