methyl 3-fluoro-4-methyl-5-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]benzoate

C19H15FN2O3S — CID 99704090

IUPACmethyl 3-fluoro-4-methyl-5-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(F)c(C)c(NC(=O)c2cnc(-c3ccccc3)s2)c1
InChIInChI=1S/C19H15FN2O3S/c1-11-14(20)8-13(19(24)25-2)9-15(11)22-17(23)16-10-21-18(26-16)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,22,23)
InChIKeyTVPHCBNTXPSRPL-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.30
Rot. Bonds4

About methyl 3-fluoro-4-methyl-5-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]benzoate

methyl 3-fluoro-4-methyl-5-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]benzoate (PubChem CID 99704090) has the molecular formula C19H15FN2O3S and a molecular weight of 370.41 g/mol. Its IUPAC name is methyl 3-fluoro-4-methyl-5-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-fluoro-4-methyl-5-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]benzoate
PubChem CID99704090
Molecular FormulaC19H15FN2O3S
Molecular Weight370.41 g/mol
Exact Mass370.08
IUPAC Namemethyl 3-fluoro-4-methyl-5-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(F)c(C)c(NC(=O)c2cnc(-c3ccccc3)s2)c1
InChIInChI=1S/C19H15FN2O3S/c1-11-14(20)8-13(19(24)25-2)9-15(11)22-17(23)16-10-21-18(26-16)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,22,23)
InChIKeyTVPHCBNTXPSRPL-UHFFFAOYSA-N
XLogP4.30
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 55704407
N-(2,5-dimethylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 46484824
N-(2,5-dimethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 46460468
N-(2-ethoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 86997626
N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55764325
N-[4-[(2-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55765590
methyl 2-(4-fluorophenyl)-1,3-thiazole-5-carboxylate
CID 57362704
methyl 3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-5-fluoro-4-methylbenzoate
CID 168581330
N-(4-carbamoyl-2-fluorophenyl)-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 100631360
N-(2-chloro-4-fluorophenyl)-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 99812022
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 78877447
methyl 3,5-difluoro-4-methylbenzoate
CID 91655032

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-4-methyl-5-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-fluoro-4-methyl-5-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]benzoate (CID 99704090) is methyl 3-fluoro-4-methyl-5-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-fluoro-4-methyl-5-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-fluoro-4-methyl-5-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]benzoate is COC(=O)c1cc(F)c(C)c(NC(=O)c2cnc(-c3ccccc3)s2)c1.
What is the InChIKey of methyl 3-fluoro-4-methyl-5-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]benzoate?
The InChIKey is TVPHCBNTXPSRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O3S/c1-11-14(20)8-13(19(24)25-2)9-15(11)22-17(23)16-10-21-18(26-16)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,22,23).
What are the key properties of methyl 3-fluoro-4-methyl-5-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]benzoate?
methyl 3-fluoro-4-methyl-5-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]benzoate has a molecular weight of 370.41 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-4-methyl-5-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]benzoate is sourced from PubChem (CID 99704090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).