N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide

C15H16F2N2O3S — CID 111335370

IUPACN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)NCC(C)(O)c2ccc(F)cc2F)cs1
InChIInChI=1S/C15H16F2N2O3S/c1-15(21,10-4-3-9(16)5-11(10)17)8-18-14(20)12-7-23-13(19-12)6-22-2/h3-5,7,21H,6,8H2,1-2H3,(H,18,20)
InChIKeyWVVHSJNRDJUZAN-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.21
Rot. Bonds6

About N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide (PubChem CID 111335370) has the molecular formula C15H16F2N2O3S and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
PubChem CID111335370
Molecular FormulaC15H16F2N2O3S
Molecular Weight342.37 g/mol
Exact Mass342.08
IUPAC NameN-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)NCC(C)(O)c2ccc(F)cc2F)cs1
InChIInChI=1S/C15H16F2N2O3S/c1-15(21,10-4-3-9(16)5-11(10)17)8-18-14(20)12-7-23-13(19-12)6-22-2/h3-5,7,21H,6,8H2,1-2H3,(H,18,20)
InChIKeyWVVHSJNRDJUZAN-UHFFFAOYSA-N
XLogP2.21
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,3-thiazole-4-carboxamide
CID 111335295
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-3-methoxythiophene-2-carboxamide
CID 111335366
N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-methylpyridine-2-carboxamide
CID 95627816
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-methylpropanamide
CID 111335414
2-[(4-fluorophenoxy)methyl]-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 24712829
2-[(2,4-difluorophenoxy)methyl]-N-[2-(dimethylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 24712990
4-acetamido-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]benzamide
CID 96549083
1-tert-butyl-N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxypropyl]pyrazole-4-carboxamide
CID 95627810
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-6-ethoxypyridine-3-carboxamide
CID 111335304
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111335461
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 111335377
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-4-[(dimethylamino)methyl]benzamide
CID 111335508

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide (CID 111335370) is N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide is COCc1nc(C(=O)NCC(C)(O)c2ccc(F)cc2F)cs1.
What is the InChIKey of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is WVVHSJNRDJUZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O3S/c1-15(21,10-4-3-9(16)5-11(10)17)8-18-14(20)12-7-23-13(19-12)6-22-2/h3-5,7,21H,6,8H2,1-2H3,(H,18,20).
What are the key properties of N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide?
N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-difluorophenyl)-2-hydroxypropyl]-2-(methoxymethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 111335370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).