4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide

C23H25ClN2O2S — CID 42682541

IUPAC4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C23H25ClN2O2S/c1-16(2)12-26(23(27)18-6-8-19(24)9-7-18)13-20-15-29-22(25-20)14-28-21-10-4-17(3)5-11-21/h4-11,15-16H,12-14H2,1-3H3
InChIKeyPPEYMZJIOHNGHB-UHFFFAOYSA-N
MW428.99 g/mol
LogP5.98
Rot. Bonds8

About 4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide

4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 42682541) has the molecular formula C23H25ClN2O2S and a molecular weight of 428.99 g/mol. Its IUPAC name is 4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
PubChem CID42682541
Molecular FormulaC23H25ClN2O2S
Molecular Weight428.99 g/mol
Exact Mass428.13
IUPAC Name4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccc(Cl)cc3)cs2)cc1
InChIInChI=1S/C23H25ClN2O2S/c1-16(2)12-26(23(27)18-6-8-19(24)9-7-18)13-20-15-29-22(25-20)14-28-21-10-4-17(3)5-11-21/h4-11,15-16H,12-14H2,1-3H3
InChIKeyPPEYMZJIOHNGHB-UHFFFAOYSA-N
XLogP5.98
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.99
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 156702330
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-3-(4-methoxyphenyl)propanamide
CID 7216563
N-{2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl}-3-methoxybenzamide
CID 7518350
{2-[2-(4-Chloro-phenyl)-thiazol-4-ylmethoxy]-3-methoxy-phenyl}-pyrrolidin-1-yl-methanone
CID 11166272
2-(4-Chlorophenyl)-4-{[2-(pyrrolidine-1-carbonyl)phenoxy]methyl}-1,3-thiazole
CID 11200377
{3-Chloro-2-[2-(4-chloro-phenyl)-thiazol-4-ylmethoxy]-phenyl}-pyrrolidin-1-yl-methanone
CID 44402348
{2-[2-(4-Chloro-phenyl)-thiazol-4-ylmethoxy]-3-methyl-phenyl}-pyrrolidin-1-yl-methanone
CID 44402481
3-Methoxy-N-({2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-YL}methyl)-N-(2-methylpropyl)benzamide
CID 46009273
3-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 168278999
N'-(4-chlorobenzoyl)-2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carbohydrazide
CID 2743894
1-[(2R)-2-[2-[(4-chlorophenyl)methyl]-1,3-thiazol-4-yl]piperidin-1-yl]-2-phenoxyethanone
CID 25123087
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 24790117

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide (CID 42682541) is 4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide is Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccc(Cl)cc3)cs2)cc1.
What is the InChIKey of 4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is PPEYMZJIOHNGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O2S/c1-16(2)12-26(23(27)18-6-8-19(24)9-7-18)13-20-15-29-22(25-20)14-28-21-10-4-17(3)5-11-21/h4-11,15-16H,12-14H2,1-3H3.
What are the key properties of 4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 428.99 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 42682541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).