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

C15H16F2N2O2S — CID 110021620

IUPAC2-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-5-carboxamide
SMILESCC(CCO)CNC(=O)c1cnc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C15H16F2N2O2S/c1-9(4-5-20)7-18-14(21)13-8-19-15(22-13)10-2-3-11(16)12(17)6-10/h2-3,6,8-9,20H,4-5,7H2,1H3,(H,18,21)
InChIKeyDBTKDZVZYXDPIN-UHFFFAOYSA-N
MW326.37 g/mol
LogP2.84
Rot. Bonds6

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

2-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-5-carboxamide (PubChem CID 110021620) has the molecular formula C15H16F2N2O2S and a molecular weight of 326.37 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-5-carboxamide
PubChem CID110021620
Molecular FormulaC15H16F2N2O2S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name2-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-5-carboxamide
SMILESCC(CCO)CNC(=O)c1cnc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C15H16F2N2O2S/c1-9(4-5-20)7-18-14(21)13-8-19-15(22-13)10-2-3-11(16)12(17)6-10/h2-3,6,8-9,20H,4-5,7H2,1H3,(H,18,21)
InChIKeyDBTKDZVZYXDPIN-UHFFFAOYSA-N
XLogP2.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 52.84
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-(4-hydroxy-2-methylbutyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-5-carboxamide (CID 110021620) is 2-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-5-carboxamide is CC(CCO)CNC(=O)c1cnc(-c2ccc(F)c(F)c2)s1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-5-carboxamide?
The InChIKey is DBTKDZVZYXDPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2S/c1-9(4-5-20)7-18-14(21)13-8-19-15(22-13)10-2-3-11(16)12(17)6-10/h2-3,6,8-9,20H,4-5,7H2,1H3,(H,18,21).
What are the key properties of 2-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-5-carboxamide?
2-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-5-carboxamide has a molecular weight of 326.37 g/mol, XLogP of 2.84, 6 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-(4-hydroxy-2-methylbutyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110021620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).