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

C25H28N2O2S — CID 46008122

IUPACN-cyclopropyl-4-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2csc(COc3ccccc3C(C)C)n2)C2CC2)cc1
InChIInChI=1S/C25H28N2O2S/c1-17(2)22-6-4-5-7-23(22)29-15-24-26-20(16-30-24)14-27(21-12-13-21)25(28)19-10-8-18(3)9-11-19/h4-11,16-17,21H,12-15H2,1-3H3
InChIKeyZRZKSOPFJJKDTC-UHFFFAOYSA-N
MW420.58 g/mol
LogP5.96
Rot. Bonds8

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

N-cyclopropyl-4-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide (PubChem CID 46008122) has the molecular formula C25H28N2O2S and a molecular weight of 420.58 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
PubChem CID46008122
Molecular FormulaC25H28N2O2S
Molecular Weight420.58 g/mol
Exact Mass420.19
IUPAC NameN-cyclopropyl-4-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2csc(COc3ccccc3C(C)C)n2)C2CC2)cc1
InChIInChI=1S/C25H28N2O2S/c1-17(2)22-6-4-5-7-23(22)29-15-24-26-20(16-30-24)14-27(21-12-13-21)25(28)19-10-8-18(3)9-11-19/h4-11,16-17,21H,12-15H2,1-3H3
InChIKeyZRZKSOPFJJKDTC-UHFFFAOYSA-N
XLogP5.96
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.58
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-4-fluoro-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008115
N-cyclopropyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]thiophene-2-carboxamide
CID 46008117
N-cyclopropyl-3-methyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 46009606
N-butan-2-yl-4-fluoro-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008095
4-fluoro-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008063
4-chloro-N-cyclopropyl-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008779
N-cyclopropyl-3-methyl-N-[[2-[(3-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 42682443
N-butan-2-yl-2-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008111
4-methyl-N-(2-methylpropyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzenesulfonamide
CID 46009759
N-[(2R)-butan-2-yl]-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]propanamide
CID 93165084
3-bromo-N-cyclopropyl-N-[[2-(naphthalen-1-yloxymethyl)-1,3-thiazol-4-yl]methyl]benzamide
CID 46009601
2-methoxy-N-(2-methoxyethyl)-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide
CID 46008079

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide (CID 46008122) is N-cyclopropyl-4-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide is Cc1ccc(C(=O)N(Cc2csc(COc3ccccc3C(C)C)n2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
The InChIKey is ZRZKSOPFJJKDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2S/c1-17(2)22-6-4-5-7-23(22)29-15-24-26-20(16-30-24)14-27(21-12-13-21)25(28)19-10-8-18(3)9-11-19/h4-11,16-17,21H,12-15H2,1-3H3.
What are the key properties of N-cyclopropyl-4-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide?
N-cyclopropyl-4-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide has a molecular weight of 420.58 g/mol, XLogP of 5.96, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-N-[[2-[(2-propan-2-ylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]benzamide is sourced from PubChem (CID 46008122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).