N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide

C18H15ClN2O3S — CID 1220199

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1
InChIInChI=1S/C18H15ClN2O3S/c1-23-13-7-8-14(16(9-13)24-2)17(22)21-18-20-15(10-25-18)11-3-5-12(19)6-4-11/h3-10H,1-2H3,(H,20,21,22)
InChIKeyJXJTTZZHDZRNMK-UHFFFAOYSA-N
MW374.85 g/mol
LogP4.73
Rot. Bonds5

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide (PubChem CID 1220199) has the molecular formula C18H15ClN2O3S and a molecular weight of 374.85 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
PubChem CID1220199
Molecular FormulaC18H15ClN2O3S
Molecular Weight374.85 g/mol
Exact Mass374.05
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1
InChIInChI=1S/C18H15ClN2O3S/c1-23-13-7-8-14(16(9-13)24-2)17(22)21-18-20-15(10-25-18)11-3-5-12(19)6-4-11/h3-10H,1-2H3,(H,20,21,22)
InChIKeyJXJTTZZHDZRNMK-UHFFFAOYSA-N
XLogP4.73
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 3533618
2,4-dimethoxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]benzamide
CID 1049837
2,4,5-trimethoxy-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 8748148
2,5-dimethoxy-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848687
2,4-dimethoxy-N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 39219203
2,5-dimethoxy-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16848702
N-[4-[2-(4-fluoroanilino)-1,3-thiazol-4-yl]phenyl]-2,4-dimethoxybenzamide
CID 4997777
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide
CID 43140311
3-chloro-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-6-methoxy-1-benzothiophene-2-carboxamide
CID 3403024
2,5-dichloro-N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 1259227
2,5-dimethoxy-N-[4-(4-propylphenyl)-1,3-thiazol-2-yl]benzamide
CID 16557171
2,4-dichloro-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 55382203

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide (CID 1220199) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(OC)c1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide?
The InChIKey is JXJTTZZHDZRNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O3S/c1-23-13-7-8-14(16(9-13)24-2)17(22)21-18-20-15(10-25-18)11-3-5-12(19)6-4-11/h3-10H,1-2H3,(H,20,21,22).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide has a molecular weight of 374.85 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 1220199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).