N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide

C18H13F3N2O2S — CID 71885594

IUPACN-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCC(O)c1ccc(F)c(F)c1)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C18H13F3N2O2S/c19-12-4-2-1-3-11(12)18-23-9-16(26-18)17(25)22-8-15(24)10-5-6-13(20)14(21)7-10/h1-7,9,15,24H,8H2,(H,22,25)
InChIKeyBLSFDXSFGSNNDL-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.69
Rot. Bonds5

About N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide

N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 71885594) has the molecular formula C18H13F3N2O2S and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
PubChem CID71885594
Molecular FormulaC18H13F3N2O2S
Molecular Weight378.38 g/mol
Exact Mass378.06
IUPAC NameN-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
SMILESO=C(NCC(O)c1ccc(F)c(F)c1)c1cnc(-c2ccccc2F)s1
InChIInChI=1S/C18H13F3N2O2S/c19-12-4-2-1-3-11(12)18-23-9-16(26-18)17(25)22-8-15(24)10-5-6-13(20)14(21)7-10/h1-7,9,15,24H,8H2,(H,22,25)
InChIKeyBLSFDXSFGSNNDL-UHFFFAOYSA-N
XLogP3.69
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide (CID 71885594) is N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide is O=C(NCC(O)c1ccc(F)c(F)c1)c1cnc(-c2ccccc2F)s1.
What is the InChIKey of N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BLSFDXSFGSNNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2S/c19-12-4-2-1-3-11(12)18-23-9-16(26-18)17(25)22-8-15(24)10-5-6-13(20)14(21)7-10/h1-7,9,15,24H,8H2,(H,22,25).
What are the key properties of N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide?
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71885594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).