methyl 5-(3-fluorophenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate

C18H14FN3O3S — CID 24765117

IUPACmethyl 5-(3-fluorophenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2ccncc2C)sc1-c1cccc(F)c1
InChIInChI=1S/C18H14FN3O3S/c1-10-9-20-7-6-13(10)16(23)22-18-21-14(17(24)25-2)15(26-18)11-4-3-5-12(19)8-11/h3-9H,1-2H3,(H,21,22,23)
InChIKeyYLJJNUCLHMMPCK-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.69
Rot. Bonds4

About methyl 5-(3-fluorophenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate

methyl 5-(3-fluorophenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate (PubChem CID 24765117) has the molecular formula C18H14FN3O3S and a molecular weight of 371.39 g/mol. Its IUPAC name is methyl 5-(3-fluorophenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-fluorophenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
PubChem CID24765117
Molecular FormulaC18H14FN3O3S
Molecular Weight371.39 g/mol
Exact Mass371.07
IUPAC Namemethyl 5-(3-fluorophenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(NC(=O)c2ccncc2C)sc1-c1cccc(F)c1
InChIInChI=1S/C18H14FN3O3S/c1-10-9-20-7-6-13(10)16(23)22-18-21-14(17(24)25-2)15(26-18)11-4-3-5-12(19)8-11/h3-9H,1-2H3,(H,21,22,23)
InChIKeyYLJJNUCLHMMPCK-UHFFFAOYSA-N
XLogP3.69
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 2-(isonicotinoylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 887876
[1-[[4-(3,4-Difluorophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 4880900
[2-[(6-Methyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] pyridine-2-carboxylate
CID 2447914
4-(dimethoxymethyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
CID 90683421
[2-[[4-(3-Nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] pyridine-2-carboxylate
CID 2363253
Pyridine-2-carboxylic acid (4-phenyl-thiazol-2-ylcarbamoyl)-methyl ester
CID 3155677
CID 29805365
CID 29805365
Acetic acid 6-(thiazol-2-ylcarbamoyl)-pyridin-2-ylmethyl ester
CID 44391681
Ethyl 2-[(6-pyridin-2-ylpyridine-2-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 177648593
Methyl 5-(2-methoxyphenyl)-2-[(4-pyridylcarbonyl)amino]-1,3-thiazole-4-carboxylate
CID 60175820
Methyl 5-(2-chlorophenyl)-2-(nicotinamido)thiazole-4-carboxylate
CID 60175910
Methyl 2-(2,6-difluorobenzamido)-5-(3-(methoxycarbonyl)phenyl)thiazole-4-carboxylate
CID 24764556

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-fluorophenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 5-(3-fluorophenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate (CID 24765117) is methyl 5-(3-fluorophenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 5-(3-fluorophenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 5-(3-fluorophenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate is COC(=O)c1nc(NC(=O)c2ccncc2C)sc1-c1cccc(F)c1.
What is the InChIKey of methyl 5-(3-fluorophenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
The InChIKey is YLJJNUCLHMMPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3S/c1-10-9-20-7-6-13(10)16(23)22-18-21-14(17(24)25-2)15(26-18)11-4-3-5-12(19)8-11/h3-9H,1-2H3,(H,21,22,23).
What are the key properties of methyl 5-(3-fluorophenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate?
methyl 5-(3-fluorophenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate has a molecular weight of 371.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-fluorophenyl)-2-[(3-methylpyridine-4-carbonyl)amino]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 24765117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).