4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide

C21H21FN2O2S — CID 1172758

IUPAC4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(-c2csc(N(CC(C)C)C(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H21FN2O2S/c1-14(2)12-24(20(25)16-4-8-17(22)9-5-16)21-23-19(13-27-21)15-6-10-18(26-3)11-7-15/h4-11,13-14H,12H2,1-3H3
InChIKeyMIJGBLNCURFLCN-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.26
Rot. Bonds6

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

4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide (PubChem CID 1172758) has the molecular formula C21H21FN2O2S and a molecular weight of 384.48 g/mol. Its IUPAC name is 4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide
PubChem CID1172758
Molecular FormulaC21H21FN2O2S
Molecular Weight384.48 g/mol
Exact Mass384.13
IUPAC Name4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide
SMILESCOc1ccc(-c2csc(N(CC(C)C)C(=O)c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C21H21FN2O2S/c1-14(2)12-24(20(25)16-4-8-17(22)9-5-16)21-23-19(13-27-21)15-6-10-18(26-3)11-7-15/h4-11,13-14H,12H2,1-3H3
InChIKeyMIJGBLNCURFLCN-UHFFFAOYSA-N
XLogP5.26
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide (CID 1172758) is 4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide is COc1ccc(-c2csc(N(CC(C)C)C(=O)c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide?
The InChIKey is MIJGBLNCURFLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2S/c1-14(2)12-24(20(25)16-4-8-17(22)9-5-16)21-23-19(13-27-21)15-6-10-18(26-3)11-7-15/h4-11,13-14H,12H2,1-3H3.
What are the key properties of 4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide?
4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide has a molecular weight of 384.48 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 1172758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).