2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide

C19H18N2O3S — CID 16848687

IUPAC2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1
InChIInChI=1S/C19H18N2O3S/c1-12-4-6-13(7-5-12)16-11-25-19(20-16)21-18(22)15-10-14(23-2)8-9-17(15)24-3/h4-11H,1-3H3,(H,20,21,22)
InChIKeySZXZSPUIXQFISF-UHFFFAOYSA-N
MW354.43 g/mol
LogP4.39
Rot. Bonds5

About 2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide

2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (PubChem CID 16848687) has the molecular formula C19H18N2O3S and a molecular weight of 354.43 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
PubChem CID16848687
Molecular FormulaC19H18N2O3S
Molecular Weight354.43 g/mol
Exact Mass354.10
IUPAC Name2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1
InChIInChI=1S/C19H18N2O3S/c1-12-4-6-13(7-5-12)16-11-25-19(20-16)21-18(22)15-10-14(23-2)8-9-17(15)24-3/h4-11H,1-3H3,(H,20,21,22)
InChIKeySZXZSPUIXQFISF-UHFFFAOYSA-N
XLogP4.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-dimethoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848702
2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16557171
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148
N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848719
5-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-nitrobenzamide
CID 47846073
2,4-dimethoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3533618
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
CID 1220199
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16556958
methane;4-methoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 158194768
N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-2,4-dimethylbenzamide
CID 3267150
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-2,5-dimethoxybenzamide
CID 16848711
N-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-thiazol-2-yl]-2-methoxy-5-methylbenzamide
CID 34053840

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide (CID 16848687) is 2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is COc1ccc(OC)c(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
The InChIKey is SZXZSPUIXQFISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3S/c1-12-4-6-13(7-5-12)16-11-25-19(20-16)21-18(22)15-10-14(23-2)8-9-17(15)24-3/h4-11H,1-3H3,(H,20,21,22).
What are the key properties of 2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide?
2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide has a molecular weight of 354.43 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 16848687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).