4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide

C18H14FN3O2S — CID 51202299

IUPAC4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C18H14FN3O2S/c19-14-7-1-11(2-8-14)9-15-10-21-18(25-15)22-17(24)13-5-3-12(4-6-13)16(20)23/h1-8,10H,9H2,(H2,20,23)(H,21,22,24)
InChIKeySXRHENUHSQUSRI-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.22
Rot. Bonds5

About 4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide

4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide (PubChem CID 51202299) has the molecular formula C18H14FN3O2S and a molecular weight of 355.39 g/mol. Its IUPAC name is 4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
PubChem CID51202299
Molecular FormulaC18H14FN3O2S
Molecular Weight355.39 g/mol
Exact Mass355.08
IUPAC Name4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide
SMILESNC(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1
InChIInChI=1S/C18H14FN3O2S/c19-14-7-1-11(2-8-14)9-15-10-21-18(25-15)22-17(24)13-5-3-12(4-6-13)16(20)23/h1-8,10H,9H2,(H2,20,23)(H,21,22,24)
InChIKeySXRHENUHSQUSRI-UHFFFAOYSA-N
XLogP3.22
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-[5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 18876296
3-ethoxy-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-methoxybenzamide
CID 55384796
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 17491084
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 55489227
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(propanoylamino)benzamide
CID 55821493
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]pyrazine-2-carboxamide
CID 51202265
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 60600982
4-(4-chlorophenyl)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-oxobutanamide
CID 55384945
(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 675301
4-ethoxy-N-[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]benzamide
CID 4684424
N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-benzofuran-3-carboxamide
CID 71590184
3,5-diethyl-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 46968914

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide (CID 51202299) is 4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide is NC(=O)c1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1.
What is the InChIKey of 4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide?
The InChIKey is SXRHENUHSQUSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2S/c19-14-7-1-11(2-8-14)9-15-10-21-18(25-15)22-17(24)13-5-3-12(4-6-13)16(20)23/h1-8,10H,9H2,(H2,20,23)(H,21,22,24).
What are the key properties of 4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide?
4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide has a molecular weight of 355.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 51202299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).