4-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol

C16H11F2NOS — CID 135705063

IUPAC4-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol
SMILESCc1sc(-c2ccc(O)cc2)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C16H11F2NOS/c1-9-15(11-4-7-13(17)14(18)8-11)19-16(21-9)10-2-5-12(20)6-3-10/h2-8,20H,1H3
InChIKeyODUNRFZWGKDJOK-UHFFFAOYSA-N
MW303.33 g/mol
LogP4.77
Rot. Bonds2

About 4-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol

4-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol (PubChem CID 135705063) has the molecular formula C16H11F2NOS and a molecular weight of 303.33 g/mol. Its IUPAC name is 4-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol
PubChem CID135705063
Molecular FormulaC16H11F2NOS
Molecular Weight303.33 g/mol
Exact Mass303.05
IUPAC Name4-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol
SMILESCc1sc(-c2ccc(O)cc2)nc1-c1ccc(F)c(F)c1
InChIInChI=1S/C16H11F2NOS/c1-9-15(11-4-7-13(17)14(18)8-11)19-16(21-9)10-2-5-12(20)6-3-10/h2-8,20H,1H3
InChIKeyODUNRFZWGKDJOK-UHFFFAOYSA-N
XLogP4.77
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol?
The IUPAC name of 4-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol (CID 135705063) is 4-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol.
What is the SMILES notation for 4-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol?
The canonical SMILES for 4-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol is Cc1sc(-c2ccc(O)cc2)nc1-c1ccc(F)c(F)c1.
What is the InChIKey of 4-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol?
The InChIKey is ODUNRFZWGKDJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NOS/c1-9-15(11-4-7-13(17)14(18)8-11)19-16(21-9)10-2-5-12(20)6-3-10/h2-8,20H,1H3.
What are the key properties of 4-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol?
4-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol has a molecular weight of 303.33 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-difluorophenyl)-5-methyl-1,3-thiazol-2-yl]phenol is sourced from PubChem (CID 135705063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).