N-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide

C21H21ClN2O3S — CID 16550274

IUPACN-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc(Cl)c1OC(C)C
InChIInChI=1S/C21H21ClN2O3S/c1-13(2)27-19-17(22)10-15(11-18(19)26-3)20(25)24-21-23-12-16(28-21)9-14-7-5-4-6-8-14/h4-8,10-13H,9H2,1-3H3,(H,23,24,25)
InChIKeyFTVGHDOVRAUIAH-UHFFFAOYSA-N
MW416.93 g/mol
LogP5.44
Rot. Bonds7

About N-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide

N-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide (PubChem CID 16550274) has the molecular formula C21H21ClN2O3S and a molecular weight of 416.93 g/mol. Its IUPAC name is N-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide
PubChem CID16550274
Molecular FormulaC21H21ClN2O3S
Molecular Weight416.93 g/mol
Exact Mass416.10
IUPAC NameN-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide
SMILESCOc1cc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc(Cl)c1OC(C)C
InChIInChI=1S/C21H21ClN2O3S/c1-13(2)27-19-17(22)10-15(11-18(19)26-3)20(25)24-21-23-12-16(28-21)9-14-7-5-4-6-8-14/h4-8,10-13H,9H2,1-3H3,(H,23,24,25)
InChIKeyFTVGHDOVRAUIAH-UHFFFAOYSA-N
XLogP5.44
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.93
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide 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

4-(2-amino-2-oxoethoxy)-3-chloro-N-[5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-yl]-5-methoxybenzamide
CID 24590815
N-(5-benzyl-1,3-thiazol-2-yl)-3,5-dimethoxybenzamide
CID 52896563
N-[5-[(3-chloro-4-methylphenyl)methyl]-1,3-thiazol-2-yl]-3,4,5-trimethoxybenzamide
CID 30685113
N-(5-benzyl-1,3-thiazol-2-yl)-3-methoxybenzamide
CID 37035111
3-chloro-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-5-methoxy-4-propan-2-yloxybenzamide
CID 26723389
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 16550286
2-propan-2-yloxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 4306708
3-chloro-N-(5-chloro-2-pyridinyl)-5-methoxy-4-propan-2-yloxybenzamide
CID 34135778
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2-methoxyphenoxy)butanamide
CID 17034116
N-(5-benzyl-1,3-thiazol-2-yl)-2,6-dimethoxypyrimidine-4-carboxamide
CID 46969715
N-[5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2,3-dimethoxybenzamide
CID 42027870
N-[5-[(3-nitrophenyl)methyl]-1,3-thiazol-2-yl]-4-propan-2-yloxybenzamide
CID 4007991

Frequently Asked Questions

What is the IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide?
The IUPAC name of N-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide (CID 16550274) is N-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide.
What is the SMILES notation for N-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide?
The canonical SMILES for N-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide is COc1cc(C(=O)Nc2ncc(Cc3ccccc3)s2)cc(Cl)c1OC(C)C.
What is the InChIKey of N-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide?
The InChIKey is FTVGHDOVRAUIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O3S/c1-13(2)27-19-17(22)10-15(11-18(19)26-3)20(25)24-21-23-12-16(28-21)9-14-7-5-4-6-8-14/h4-8,10-13H,9H2,1-3H3,(H,23,24,25).
What are the key properties of N-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide?
N-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide has a molecular weight of 416.93 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzyl-1,3-thiazol-2-yl)-3-chloro-5-methoxy-4-propan-2-yloxybenzamide is sourced from PubChem (CID 16550274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).