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

C16H18F2N2O2S — CID 110021373

IUPAC2-(3,4-difluorophenyl)-N-(3-hydroxy-4-methylpentyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)C(O)CCNC(=O)c1cnc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C16H18F2N2O2S/c1-9(2)13(21)5-6-19-15(22)14-8-20-16(23-14)10-3-4-11(17)12(18)7-10/h3-4,7-9,13,21H,5-6H2,1-2H3,(H,19,22)
InChIKeyOMJBSVHGVADWEL-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.23
Rot. Bonds6

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

2-(3,4-difluorophenyl)-N-(3-hydroxy-4-methylpentyl)-1,3-thiazole-5-carboxamide (PubChem CID 110021373) has the molecular formula C16H18F2N2O2S and a molecular weight of 340.40 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-N-(3-hydroxy-4-methylpentyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-N-(3-hydroxy-4-methylpentyl)-1,3-thiazole-5-carboxamide
PubChem CID110021373
Molecular FormulaC16H18F2N2O2S
Molecular Weight340.40 g/mol
Exact Mass340.11
IUPAC Name2-(3,4-difluorophenyl)-N-(3-hydroxy-4-methylpentyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)C(O)CCNC(=O)c1cnc(-c2ccc(F)c(F)c2)s1
InChIInChI=1S/C16H18F2N2O2S/c1-9(2)13(21)5-6-19-15(22)14-8-20-16(23-14)10-3-4-11(17)12(18)7-10/h3-4,7-9,13,21H,5-6H2,1-2H3,(H,19,22)
InChIKeyOMJBSVHGVADWEL-UHFFFAOYSA-N
XLogP3.23
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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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Related Compounds

2-(3,4-difluorophenyl)-N-(2-hydroxy-3-methylpentyl)-1,3-thiazole-5-carboxamide
CID 110021613
2-(3,4-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)-1,3-thiazole-5-carboxamide
CID 110021490
2-(3,4-difluorophenyl)-N-(4-hydroxy-2-methylbutyl)-1,3-thiazole-5-carboxamide
CID 110021620
2-(3,4-difluorophenyl)-N-(2-hydroxypropyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 110021988
2-(3,4-difluorophenyl)-N-(1,3-dihydroxy-2-methylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 86798571
N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119499312
2-(3,4-difluorophenyl)-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 110018847
N-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-(3,4-difluorophenyl)-1,3-thiazole-5-carboxamide
CID 166221330
2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111460515
1-(2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)pyrazole-4-carboxamide
CID 111460687
2-(1,3-benzodioxol-5-yl)-N-[2-(ethylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 119506283
N-(3-aminobutyl)-2-pyrimidin-2-yl-1,3-thiazole-5-carboxamide
CID 119495185

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-N-(3-hydroxy-4-methylpentyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(3,4-difluorophenyl)-N-(3-hydroxy-4-methylpentyl)-1,3-thiazole-5-carboxamide (CID 110021373) is 2-(3,4-difluorophenyl)-N-(3-hydroxy-4-methylpentyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(3,4-difluorophenyl)-N-(3-hydroxy-4-methylpentyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(3,4-difluorophenyl)-N-(3-hydroxy-4-methylpentyl)-1,3-thiazole-5-carboxamide is CC(C)C(O)CCNC(=O)c1cnc(-c2ccc(F)c(F)c2)s1.
What is the InChIKey of 2-(3,4-difluorophenyl)-N-(3-hydroxy-4-methylpentyl)-1,3-thiazole-5-carboxamide?
The InChIKey is OMJBSVHGVADWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2O2S/c1-9(2)13(21)5-6-19-15(22)14-8-20-16(23-14)10-3-4-11(17)12(18)7-10/h3-4,7-9,13,21H,5-6H2,1-2H3,(H,19,22).
What are the key properties of 2-(3,4-difluorophenyl)-N-(3-hydroxy-4-methylpentyl)-1,3-thiazole-5-carboxamide?
2-(3,4-difluorophenyl)-N-(3-hydroxy-4-methylpentyl)-1,3-thiazole-5-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.23, 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-(3-hydroxy-4-methylpentyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110021373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).