3-bromo-N-cyclopropyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide

C25H21BrN2O2S — CID 46009601

IUPAC3-bromo-N-cyclopropyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
SMILESO=C(c1cccc(Br)c1)N(Cc1csc(COc2cccc3ccccc23)n1)C1CC1
InChIInChI=1S/C25H21BrN2O2S/c26-19-8-3-7-18(13-19)25(29)28(21-11-12-21)14-20-16-31-24(27-20)15-30-23-10-4-6-17-5-1-2-9-22(17)23/h1-10,13,16,21H,11-12,14-15H2
InChIKeySVCHTJBJWQNWMQ-UHFFFAOYSA-N
MW493.43 g/mol
LogP6.44
Rot. Bonds7

About 3-bromo-N-cyclopropyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide

3-bromo-N-cyclopropyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide (PubChem CID 46009601) has the molecular formula C25H21BrN2O2S and a molecular weight of 493.43 g/mol. Its IUPAC name is 3-bromo-N-cyclopropyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-cyclopropyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
PubChem CID46009601
Molecular FormulaC25H21BrN2O2S
Molecular Weight493.43 g/mol
Exact Mass492.05
IUPAC Name3-bromo-N-cyclopropyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
SMILESO=C(c1cccc(Br)c1)N(Cc1csc(COc2cccc3ccccc23)n1)C1CC1
InChIInChI=1S/C25H21BrN2O2S/c26-19-8-3-7-18(13-19)25(29)28(21-11-12-21)14-20-16-31-24(27-20)15-30-23-10-4-6-17-5-1-2-9-22(17)23/h1-10,13,16,21H,11-12,14-15H2
InChIKeySVCHTJBJWQNWMQ-UHFFFAOYSA-N
XLogP6.44
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.43
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-3-methyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 46009606
N-cyclopropyl-3-methyl-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 42682443
N-cyclopropyl-4-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008122
N-cyclopropyl-4-fluoro-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008115
3-bromo-N-(2-methylpropyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008058
3-bromo-N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(3-methoxypropyl)benzamide
CID 46009530
3-bromo-N-[[2-[(2,6-dimethoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 46009462
3-bromo-N-(3-methoxypropyl)-N-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 46009243
N-cyclopropyl-3-fluoro-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzamide
CID 46006525
N-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide
CID 46008117
4-chloro-N-cyclopropyl-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008779
N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-3-methylbenzamide
CID 42836686

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclopropyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide?
The IUPAC name of 3-bromo-N-cyclopropyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide (CID 46009601) is 3-bromo-N-cyclopropyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide.
What is the SMILES notation for 3-bromo-N-cyclopropyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide?
The canonical SMILES for 3-bromo-N-cyclopropyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide is O=C(c1cccc(Br)c1)N(Cc1csc(COc2cccc3ccccc23)n1)C1CC1.
What is the InChIKey of 3-bromo-N-cyclopropyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide?
The InChIKey is SVCHTJBJWQNWMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21BrN2O2S/c26-19-8-3-7-18(13-19)25(29)28(21-11-12-21)14-20-16-31-24(27-20)15-30-23-10-4-6-17-5-1-2-9-22(17)23/h1-10,13,16,21H,11-12,14-15H2.
What are the key properties of 3-bromo-N-cyclopropyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide?
3-bromo-N-cyclopropyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide has a molecular weight of 493.43 g/mol, XLogP of 6.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclopropyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide is sourced from PubChem (CID 46009601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).