2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide

C16H18F2N2O2S — CID 110021490

IUPAC2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)C(O)CNC(=O)c1cnc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C16H18F2N2O2S/c1-16(2,3)13(21)8-19-14(22)12-7-20-15(23-12)9-4-5-10(17)11(18)6-9/h4-7,13,21H,8H2,1-3H3,(H,19,22)
InChIKeyVDZKQKRRGYIQIC-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.23
Rot. Bonds4

About 2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide

2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide (PubChem CID 110021490) has the molecular formula C16H18F2N2O2S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
PubChem CID110021490
Molecular FormulaC16H18F2N2O2S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)C(O)CNC(=O)c1cnc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C16H18F2N2O2S/c1-16(2,3)13(21)8-19-14(22)12-7-20-15(23-12)9-4-5-10(17)11(18)6-9/h4-7,13,21H,8H2,1-3H3,(H,19,22)
InChIKeyVDZKQKRRGYIQIC-UHFFFAOYSA-N
XLogP3.23
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide (CID 110021490) is 2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide is CC(C)(C)C(O)CNC(=O)c1cnc(-c2ccc(F)c(F)c2)s1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VDZKQKRRGYIQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2S/c1-16(2,3)13(21)8-19-14(22)12-7-20-15(23-12)9-4-5-10(17)11(18)6-9/h4-7,13,21H,8H2,1-3H3,(H,19,22).
What are the key properties of 2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide?
2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110021490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).