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

C26H24N2O2S — CID 46009606

IUPACN-cyclopropyl-3-methyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
SMILESCc1cccc(C(=O)N(Cc2csc(COc3cccc4ccccc34)n2)C2CC2)c1
InChIInChI=1S/C26H24N2O2S/c1-18-6-4-9-20(14-18)26(29)28(22-12-13-22)15-21-17-31-25(27-21)16-30-24-11-5-8-19-7-2-3-10-23(19)24/h2-11,14,17,22H,12-13,15-16H2,1H3
InChIKeyAYDMCYZVMZWXIP-UHFFFAOYSA-N
MW428.56 g/mol
LogP5.99
Rot. Bonds7

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

N-cyclopropyl-3-methyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide (PubChem CID 46009606) has the molecular formula C26H24N2O2S and a molecular weight of 428.56 g/mol. Its IUPAC name is N-cyclopropyl-3-methyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-methyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
PubChem CID46009606
Molecular FormulaC26H24N2O2S
Molecular Weight428.56 g/mol
Exact Mass428.16
IUPAC NameN-cyclopropyl-3-methyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
SMILESCc1cccc(C(=O)N(Cc2csc(COc3cccc4ccccc34)n2)C2CC2)c1
InChIInChI=1S/C26H24N2O2S/c1-18-6-4-9-20(14-18)26(29)28(22-12-13-22)15-21-17-31-25(27-21)16-30-24-11-5-8-19-7-2-3-10-23(19)24/h2-11,14,17,22H,12-13,15-16H2,1H3
InChIKeyAYDMCYZVMZWXIP-UHFFFAOYSA-N
XLogP5.99
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-cyclopropyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 46009601
N-cyclopropyl-3-methyl-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 42682443
N-cyclopropyl-N-[[4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]phenyl]methyl]-3-methylbenzamide
CID 42836686
N-cyclopropyl-4-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008122
4-chloro-N-cyclopropyl-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008779
N-cyclopropyl-4-fluoro-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008115
N-cyclopropyl-3-fluoro-N-[[2-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]methoxy]-3-methoxyphenyl]methyl]benzamide
CID 46006525
3-methyl-N-propan-2-yl-N-[[2-[(2,3,5-trimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008551
N-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide
CID 46008117
1-cyclopropyl-3-ethyl-1-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]urea
CID 24714685
N-cyclopropyl-N-[[2-[(3,4-dimethylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]acetamide
CID 24714431
1-(2-methylpropyl)-1-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]-3-propan-2-ylurea
CID 46009747

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-methyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-3-methyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide (CID 46009606) is N-cyclopropyl-3-methyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-methyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-methyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide is Cc1cccc(C(=O)N(Cc2csc(COc3cccc4ccccc34)n2)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-methyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide?
The InChIKey is AYDMCYZVMZWXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2S/c1-18-6-4-9-20(14-18)26(29)28(22-12-13-22)15-21-17-31-25(27-21)16-30-24-11-5-8-19-7-2-3-10-23(19)24/h2-11,14,17,22H,12-13,15-16H2,1H3.
What are the key properties of N-cyclopropyl-3-methyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide?
N-cyclopropyl-3-methyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide has a molecular weight of 428.56 g/mol, XLogP of 5.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-methyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide is sourced from PubChem (CID 46009606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).