4-[4-(difluoromethoxy)phenyl]-2-ethyl-1,3-thiazol-5-amine

C12H12F2N2OS — CID 62082904

IUPAC4-[4-(difluoromethoxy)phenyl]-2-ethyl-1,3-thiazol-5-amine
SMILESCCc1nc(-c2ccc(OC(F)F)cc2)c(N)s1
InChIInChI=1S/C12H12F2N2OS/c1-2-9-16-10(11(15)18-9)7-3-5-8(6-4-7)17-12(13)14/h3-6,12H,2,15H2,1H3
InChIKeyGCEXYTPHRMZHHU-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.56
Rot. Bonds4

About 4-[4-(difluoromethoxy)phenyl]-2-ethyl-1,3-thiazol-5-amine

4-[4-(difluoromethoxy)phenyl]-2-ethyl-1,3-thiazol-5-amine (PubChem CID 62082904) has the molecular formula C12H12F2N2OS and a molecular weight of 270.30 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)phenyl]-2-ethyl-1,3-thiazol-5-amine.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)phenyl]-2-ethyl-1,3-thiazol-5-amine
PubChem CID62082904
Molecular FormulaC12H12F2N2OS
Molecular Weight270.30 g/mol
Exact Mass270.06
IUPAC Name4-[4-(difluoromethoxy)phenyl]-2-ethyl-1,3-thiazol-5-amine
SMILESCCc1nc(-c2ccc(OC(F)F)cc2)c(N)s1
InChIInChI=1S/C12H12F2N2OS/c1-2-9-16-10(11(15)18-9)7-3-5-8(6-4-7)17-12(13)14/h3-6,12H,2,15H2,1H3
InChIKeyGCEXYTPHRMZHHU-UHFFFAOYSA-N
XLogP3.56
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)phenyl]-2-ethyl-1,3-thiazol-5-amine?
The IUPAC name of 4-[4-(difluoromethoxy)phenyl]-2-ethyl-1,3-thiazol-5-amine (CID 62082904) is 4-[4-(difluoromethoxy)phenyl]-2-ethyl-1,3-thiazol-5-amine.
What is the SMILES notation for 4-[4-(difluoromethoxy)phenyl]-2-ethyl-1,3-thiazol-5-amine?
The canonical SMILES for 4-[4-(difluoromethoxy)phenyl]-2-ethyl-1,3-thiazol-5-amine is CCc1nc(-c2ccc(OC(F)F)cc2)c(N)s1.
What is the InChIKey of 4-[4-(difluoromethoxy)phenyl]-2-ethyl-1,3-thiazol-5-amine?
The InChIKey is GCEXYTPHRMZHHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2OS/c1-2-9-16-10(11(15)18-9)7-3-5-8(6-4-7)17-12(13)14/h3-6,12H,2,15H2,1H3.
What are the key properties of 4-[4-(difluoromethoxy)phenyl]-2-ethyl-1,3-thiazol-5-amine?
4-[4-(difluoromethoxy)phenyl]-2-ethyl-1,3-thiazol-5-amine has a molecular weight of 270.30 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)phenyl]-2-ethyl-1,3-thiazol-5-amine is sourced from PubChem (CID 62082904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).