N-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide

C23H23FN2O3S — CID 42836695

IUPACN-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide
SMILESO=C(c1ccccc1F)N(Cc1ccc(OCc2nc(CO)cs2)cc1)CC1CC1
InChIInChI=1S/C23H23FN2O3S/c24-21-4-2-1-3-20(21)23(28)26(11-16-5-6-16)12-17-7-9-19(10-8-17)29-14-22-25-18(13-27)15-30-22/h1-4,7-10,15-16,27H,5-6,11-14H2
InChIKeyNQXAWIXLBLNRHW-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.41
Rot. Bonds9

About N-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide

N-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide (PubChem CID 42836695) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide
PubChem CID42836695
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC NameN-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide
SMILESO=C(c1ccccc1F)N(Cc1ccc(OCc2nc(CO)cs2)cc1)CC1CC1
InChIInChI=1S/C23H23FN2O3S/c24-21-4-2-1-3-20(21)23(28)26(11-16-5-6-16)12-17-7-9-19(10-8-17)29-14-22-25-18(13-27)15-30-22/h1-4,7-10,15-16,27H,5-6,11-14H2
InChIKeyNQXAWIXLBLNRHW-UHFFFAOYSA-N
XLogP4.41
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide with MolForge

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Related Compounds

2-fluoro-N-[[3-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-4-methoxyphenyl]methyl]-N-(2-methoxyethyl)benzamide
CID 46006377
N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]furan-2-carboxamide
CID 46006349
N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-3-methylbenzamide
CID 42836686
N-cyclohexyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-methoxyacetamide
CID 42836691
2-fluoro-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-prop-2-enylbenzamide
CID 46008823
N-butan-2-yl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluorobenzamide
CID 46008958
N-[(2R)-butan-2-yl]-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluorobenzamide
CID 93165343
2-fluoro-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-propan-2-ylbenzamide
CID 42682438
N-[[2-[(2,3-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-2-fluoro-N-(2-methoxyethyl)benzamide
CID 46009064
N-[[5-chloro-2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-2-fluoro-N-(1-phenylethyl)benzamide
CID 46006494
N-[[2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 46013197
N-(2-methoxyethyl)-2-methyl-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 46009190

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide?
The IUPAC name of N-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide (CID 42836695) is N-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide is O=C(c1ccccc1F)N(Cc1ccc(OCc2nc(CO)cs2)cc1)CC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide?
The InChIKey is NQXAWIXLBLNRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c24-21-4-2-1-3-20(21)23(28)26(11-16-5-6-16)12-17-7-9-19(10-8-17)29-14-22-25-18(13-27)15-30-22/h1-4,7-10,15-16,27H,5-6,11-14H2.
What are the key properties of N-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide?
N-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide has a molecular weight of 426.51 g/mol, XLogP of 4.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-fluoro-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]benzamide is sourced from PubChem (CID 42836695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).