(3-fluoro-4-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate

C19H17FN2O3S — CID 55321379

IUPAC(3-fluoro-4-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(COC(=O)c2csc(NCc3ccccc3)n2)cc1F
InChIInChI=1S/C19H17FN2O3S/c1-24-17-8-7-14(9-15(17)20)11-25-18(23)16-12-26-19(22-16)21-10-13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,21,22)
InChIKeyMOIZBLWSBOJFSM-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.26
Rot. Bonds7

About (3-fluoro-4-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate

(3-fluoro-4-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate (PubChem CID 55321379) has the molecular formula C19H17FN2O3S and a molecular weight of 372.42 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
PubChem CID55321379
Molecular FormulaC19H17FN2O3S
Molecular Weight372.42 g/mol
Exact Mass372.09
IUPAC Name(3-fluoro-4-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
SMILESCOc1ccc(COC(=O)c2csc(NCc3ccccc3)n2)cc1F
InChIInChI=1S/C19H17FN2O3S/c1-24-17-8-7-14(9-15(17)20)11-25-18(23)16-12-26-19(22-16)21-10-13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,21,22)
InChIKeyMOIZBLWSBOJFSM-UHFFFAOYSA-N
XLogP4.26
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 16541990
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 46697258
[2-(4-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 7957347
[2-(3-fluoroanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 7953436
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 16562450
[2-(3,4-diethoxyanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 30255018
(3-fluoro-4-methoxyphenyl)methyl 2,6-dimethoxybenzoate
CID 2629779
[2-(4-methylanilino)-2-oxoethyl] 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 7957336
ethyl 2-[(4-bromophenyl)methylamino]-1,3-thiazole-4-carboxylate
CID 80567799
(3-fluoro-4-methoxyphenyl)methyl naphthalene-1-carboxylate
CID 7785264
[5-(dimethylsulfamoyl)furan-2-yl]methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate
CID 55730559
(3-fluoro-4-methoxyphenyl)methyl 4-phenylmethoxybenzoate
CID 7221984

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate?
The IUPAC name of (3-fluoro-4-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate (CID 55321379) is (3-fluoro-4-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate is COc1ccc(COC(=O)c2csc(NCc3ccccc3)n2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate?
The InChIKey is MOIZBLWSBOJFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3S/c1-24-17-8-7-14(9-15(17)20)11-25-18(23)16-12-26-19(22-16)21-10-13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,21,22).
What are the key properties of (3-fluoro-4-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate?
(3-fluoro-4-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)methyl 2-(benzylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 55321379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).