4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]-N,3-dimethoxybenzamide

C18H16FN3O3S2 — CID 167476472

IUPAC4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]-N,3-dimethoxybenzamide
SMILESCONC(=O)c1ccc(NSc2cnc(-c3ccc(F)cc3)s2)c(OC)c1
InChIInChI=1S/C18H16FN3O3S2/c1-24-15-9-12(17(23)21-25-2)5-8-14(15)22-27-16-10-20-18(26-16)11-3-6-13(19)7-4-11/h3-10,22H,1-2H3,(H,21,23)
InChIKeyUZNWUGUITYOTJA-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.37
Rot. Bonds7

About 4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]-N,3-dimethoxybenzamide

4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]-N,3-dimethoxybenzamide (PubChem CID 167476472) has the molecular formula C18H16FN3O3S2 and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]-N,3-dimethoxybenzamide.

Molecular Properties

Compound Name4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]-N,3-dimethoxybenzamide
PubChem CID167476472
Molecular FormulaC18H16FN3O3S2
Molecular Weight405.48 g/mol
Exact Mass405.06
IUPAC Name4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]-N,3-dimethoxybenzamide
SMILESCONC(=O)c1ccc(NSc2cnc(-c3ccc(F)cc3)s2)c(OC)c1
InChIInChI=1S/C18H16FN3O3S2/c1-24-15-9-12(17(23)21-25-2)5-8-14(15)22-27-16-10-20-18(26-16)11-3-6-13(19)7-4-11/h3-10,22H,1-2H3,(H,21,23)
InChIKeyUZNWUGUITYOTJA-UHFFFAOYSA-N
XLogP4.37
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]-N,3-dimethoxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-cyclopropylsulfonyl-4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]-3-methoxybenzamide
CID 167476363
ethyl 3-ethoxy-4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]benzoate
CID 167476829
2-chloro-4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]-5-methoxybenzoic acid
CID 167475530
ethane;methyl 4-[[2-(4-bromophenyl)-1,3-thiazol-5-yl]sulfanylamino]-3-methoxybenzoate
CID 167475519
4-[[2-(4-cyclohexylphenyl)-1,3-thiazol-5-yl]sulfanylamino]-3-methoxybenzoic acid
CID 167476656
2-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]benzoic acid
CID 167475840
4-[[2-fluoro-4-(4-fluorophenyl)phenyl]sulfanylamino]-3-methoxybenzoic acid
CID 167476153
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-3-methoxy-N-methylsulfonylbenzamide
CID 167475461
methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 57362704
N-(4-cyano-2-methoxyphenyl)-2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 167476347
6-[(5-fluoro-2-pyridinyl)amino]-N-methoxypyridine-3-carboxamide
CID 175915305
4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]sulfonylamino]-N-hydroxy-3-methoxy-N-methylbenzamide
CID 167476420

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]-N,3-dimethoxybenzamide?
The IUPAC name of 4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]-N,3-dimethoxybenzamide (CID 167476472) is 4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]-N,3-dimethoxybenzamide.
What is the SMILES notation for 4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]-N,3-dimethoxybenzamide?
The canonical SMILES for 4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]-N,3-dimethoxybenzamide is CONC(=O)c1ccc(NSc2cnc(-c3ccc(F)cc3)s2)c(OC)c1.
What is the InChIKey of 4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]-N,3-dimethoxybenzamide?
The InChIKey is UZNWUGUITYOTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S2/c1-24-15-9-12(17(23)21-25-2)5-8-14(15)22-27-16-10-20-18(26-16)11-3-6-13(19)7-4-11/h3-10,22H,1-2H3,(H,21,23).
What are the key properties of 4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]-N,3-dimethoxybenzamide?
4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]-N,3-dimethoxybenzamide has a molecular weight of 405.48 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-fluorophenyl)-1,3-thiazol-5-yl]sulfanylamino]-N,3-dimethoxybenzamide is sourced from PubChem (CID 167476472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).