N-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetamide

C20H19FN2O3S — CID 110329364

IUPACN-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2sc(-c3ccc(F)cc3)nc2C)cc1OC
InChIInChI=1S/C20H19FN2O3S/c1-12-18(27-20(22-12)13-4-6-14(21)7-5-13)11-19(24)23-15-8-9-16(25-2)17(10-15)26-3/h4-10H,11H2,1-3H3,(H,23,24)
InChIKeyRCBWBNDEEAJCTP-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.46
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetamide

N-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetamide (PubChem CID 110329364) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
PubChem CID110329364
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2sc(-c3ccc(F)cc3)nc2C)cc1OC
InChIInChI=1S/C20H19FN2O3S/c1-12-18(27-20(22-12)13-4-6-14(21)7-5-13)11-19(24)23-15-8-9-16(25-2)17(10-15)26-3/h4-10H,11H2,1-3H3,(H,23,24)
InChIKeyRCBWBNDEEAJCTP-UHFFFAOYSA-N
XLogP4.46
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-(4-methoxyphenyl)acetamide
CID 110329363
2-(4-methyl-2-phenyl-1,3-thiazol-5-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 110328896
N-(3-acetamidophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329572
2-(4-fluorophenyl)-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55624281
N-(3-cyanophenyl)-2-[2-(4-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329578
1-(3,4-dimethoxyphenyl)-2-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)methyl]guanidine
CID 111099498
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[4-methoxy-3-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 131896511
N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]-2-(4-methyl-2-pyrazin-2-yl-1,3-thiazol-5-yl)acetamide
CID 139919329
1-(3,4-dimethoxyphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547310
N-[4-(dimethylamino)phenyl]-2-[2-(3-methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]acetamide
CID 110329505
N-[2-[2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethyl]-3-fluorobenzamide
CID 7503013
1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 121122907

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetamide (CID 110329364) is N-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetamide is COc1ccc(NC(=O)Cc2sc(-c3ccc(F)cc3)nc2C)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetamide?
The InChIKey is RCBWBNDEEAJCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c1-12-18(27-20(22-12)13-4-6-14(21)7-5-13)11-19(24)23-15-8-9-16(25-2)17(10-15)26-3/h4-10H,11H2,1-3H3,(H,23,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetamide has a molecular weight of 386.45 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]acetamide is sourced from PubChem (CID 110329364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).