N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

C25H22N2O3S — CID 1172662

IUPACN-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C25H22N2O3S/c1-29-21-12-8-19(9-13-21)23-17-31-25(26-23)27(16-18-6-4-3-5-7-18)24(28)20-10-14-22(30-2)15-11-20/h3-15,17H,16H2,1-2H3
InChIKeyKGKKASNASCZCHL-UHFFFAOYSA-N
MW430.53 g/mol
LogP5.67
Rot. Bonds7

About N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide

N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 1172662) has the molecular formula C25H22N2O3S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID1172662
Molecular FormulaC25H22N2O3S
Molecular Weight430.53 g/mol
Exact Mass430.14
IUPAC NameN-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(OC)cc3)cs2)cc1
InChIInChI=1S/C25H22N2O3S/c1-29-21-12-8-19(9-13-21)23-17-31-25(26-23)27(16-18-6-4-3-5-7-18)24(28)20-10-14-22(30-2)15-11-20/h3-15,17H,16H2,1-2H3
InChIKeyKGKKASNASCZCHL-UHFFFAOYSA-N
XLogP5.67
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(furan-2-ylmethyl)-4-methoxybenzamide
CID 1176022
N-[3-(diethylamino)propyl]-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 3170750
N-benzyl-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1175892
4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide
CID 1172758
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenoxyacetamide
CID 1172644
2-(4-methoxyphenyl)-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylacetamide
CID 2675972
N-benzyl-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 39991108
4-tert-butyl-N-(2-phenylethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3173513
N-benzyl-N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 3369631
N-ethyl-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 862702
4-methyl-N-(4-phenyl-1,3-thiazol-2-yl)-N-prop-2-enylbenzamide
CID 2675971
2-[[4-[[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-(2-phenylethyl)amino]methyl]benzoyl]amino]propanoic acid
CID 23850668

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide (CID 1172662) is N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(OC)cc3)cs2)cc1.
What is the InChIKey of N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is KGKKASNASCZCHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3S/c1-29-21-12-8-19(9-13-21)23-17-31-25(26-23)27(16-18-6-4-3-5-7-18)24(28)20-10-14-22(30-2)15-11-20/h3-15,17H,16H2,1-2H3.
What are the key properties of N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide?
N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 430.53 g/mol, XLogP of 5.67, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 1172662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).