2-[2-[4-(difluoromethoxy)phenyl]imino-4-(4-methoxyphenyl)-1,3-thiazol-3-yl]ethanol

C19H18F2N2O3S — CID 1034131

IUPAC2-[2-[4-(difluoromethoxy)phenyl]imino-4-(4-methoxyphenyl)-1,3-thiazol-3-yl]ethanol
SMILESCOc1ccc(-c2cs/c(=N\c3ccc(OC(F)F)cc3)n2CCO)cc1
InChIInChI=1S/C19H18F2N2O3S/c1-25-15-6-2-13(3-7-15)17-12-27-19(23(17)10-11-24)22-14-4-8-16(9-5-14)26-18(20)21/h2-9,12,18,24H,10-11H2,1H3/b22-19-
InChIKeyHAXRLUOOABVALE-QOCHGBHMSA-N
MW392.43 g/mol
LogP4.05
Rot. Bonds7

About 2-[2-[4-(difluoromethoxy)phenyl]imino-4-(4-methoxyphenyl)-1,3-thiazol-3-yl]ethanol

2-[2-[4-(difluoromethoxy)phenyl]imino-4-(4-methoxyphenyl)-1,3-thiazol-3-yl]ethanol (PubChem CID 1034131) has the molecular formula C19H18F2N2O3S and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)phenyl]imino-4-(4-methoxyphenyl)-1,3-thiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[2-[4-(difluoromethoxy)phenyl]imino-4-(4-methoxyphenyl)-1,3-thiazol-3-yl]ethanol
PubChem CID1034131
Molecular FormulaC19H18F2N2O3S
Molecular Weight392.43 g/mol
Exact Mass392.10
IUPAC Name2-[2-[4-(difluoromethoxy)phenyl]imino-4-(4-methoxyphenyl)-1,3-thiazol-3-yl]ethanol
SMILESCOc1ccc(-c2cs/c(=N\c3ccc(OC(F)F)cc3)n2CCO)cc1
InChIInChI=1S/C19H18F2N2O3S/c1-25-15-6-2-13(3-7-15)17-12-27-19(23(17)10-11-24)22-14-4-8-16(9-5-14)26-18(20)21/h2-9,12,18,24H,10-11H2,1H3/b22-19-
InChIKeyHAXRLUOOABVALE-QOCHGBHMSA-N
XLogP4.05
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiaz_ene_A(128)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]imino-4-(4-methoxyphenyl)-1,3-thiazol-3-yl]ethanol?
The IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]imino-4-(4-methoxyphenyl)-1,3-thiazol-3-yl]ethanol (CID 1034131) is 2-[2-[4-(difluoromethoxy)phenyl]imino-4-(4-methoxyphenyl)-1,3-thiazol-3-yl]ethanol.
What is the SMILES notation for 2-[2-[4-(difluoromethoxy)phenyl]imino-4-(4-methoxyphenyl)-1,3-thiazol-3-yl]ethanol?
The canonical SMILES for 2-[2-[4-(difluoromethoxy)phenyl]imino-4-(4-methoxyphenyl)-1,3-thiazol-3-yl]ethanol is COc1ccc(-c2cs/c(=N\c3ccc(OC(F)F)cc3)n2CCO)cc1.
What is the InChIKey of 2-[2-[4-(difluoromethoxy)phenyl]imino-4-(4-methoxyphenyl)-1,3-thiazol-3-yl]ethanol?
The InChIKey is HAXRLUOOABVALE-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H18F2N2O3S/c1-25-15-6-2-13(3-7-15)17-12-27-19(23(17)10-11-24)22-14-4-8-16(9-5-14)26-18(20)21/h2-9,12,18,24H,10-11H2,1H3/b22-19-.
What are the key properties of 2-[2-[4-(difluoromethoxy)phenyl]imino-4-(4-methoxyphenyl)-1,3-thiazol-3-yl]ethanol?
2-[2-[4-(difluoromethoxy)phenyl]imino-4-(4-methoxyphenyl)-1,3-thiazol-3-yl]ethanol has a molecular weight of 392.43 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethoxy)phenyl]imino-4-(4-methoxyphenyl)-1,3-thiazol-3-yl]ethanol is sourced from PubChem (CID 1034131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).