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

C25H21ClN2O3S — CID 108749589

IUPAC2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(-c2csc(-c3ccc(CNC(=O)c4ccccc4Cl)cc3)n2)cc1OC
InChIInChI=1S/C25H21ClN2O3S/c1-30-22-12-11-18(13-23(22)31-2)21-15-32-25(28-21)17-9-7-16(8-10-17)14-27-24(29)19-5-3-4-6-20(19)26/h3-13,15H,14H2,1-2H3,(H,27,29)
InChIKeyOGBAHINXCNRERK-UHFFFAOYSA-N
MW464.97 g/mol
LogP6.08
Rot. Bonds7

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

2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide (PubChem CID 108749589) has the molecular formula C25H21ClN2O3S and a molecular weight of 464.97 g/mol. Its IUPAC name is 2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
PubChem CID108749589
Molecular FormulaC25H21ClN2O3S
Molecular Weight464.97 g/mol
Exact Mass464.10
IUPAC Name2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
SMILESCOc1ccc(-c2csc(-c3ccc(CNC(=O)c4ccccc4Cl)cc3)n2)cc1OC
InChIInChI=1S/C25H21ClN2O3S/c1-30-22-12-11-18(13-23(22)31-2)21-15-32-25(28-21)17-9-7-16(8-10-17)14-27-24(29)19-5-3-4-6-20(19)26/h3-13,15H,14H2,1-2H3,(H,27,29)
InChIKeyOGBAHINXCNRERK-UHFFFAOYSA-N
XLogP6.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.97
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108725348
1-(4-chlorophenyl)-3-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]urea
CID 108780113
1-acetyl-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]piperidine-4-carboxamide
CID 108725376
methyl 2-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylcarbamoyl]benzoate
CID 108739699
2,6-dimethoxy-N-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]benzamide
CID 108762322
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-methyl-4-nitrobenzamide
CID 108725343
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]methanesulfonamide
CID 108780108
N-benzyl-2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetamide
CID 8713252
(E)-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-3-(4-fluorophenyl)prop-2-enamide
CID 108749601
3-[butyl(methyl)amino]-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]propanamide
CID 108725381
N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 108725378
2-bromo-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide
CID 108761194

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide (CID 108749589) is 2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide is COc1ccc(-c2csc(-c3ccc(CNC(=O)c4ccccc4Cl)cc3)n2)cc1OC.
What is the InChIKey of 2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
The InChIKey is OGBAHINXCNRERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN2O3S/c1-30-22-12-11-18(13-23(22)31-2)21-15-32-25(28-21)17-9-7-16(8-10-17)14-27-24(29)19-5-3-4-6-20(19)26/h3-13,15H,14H2,1-2H3,(H,27,29).
What are the key properties of 2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide?
2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide has a molecular weight of 464.97 g/mol, XLogP of 6.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[4-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]phenyl]methyl]benzamide is sourced from PubChem (CID 108749589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).