N-[(4-fluorophenyl)methyl]-5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C19H20FN3O2S2 — CID 53464402

IUPACN-[(4-fluorophenyl)methyl]-5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOC(c1sc(-c2nccs2)nc1C(=O)NCc1ccc(F)cc1)C(C)C
InChIInChI=1S/C19H20FN3O2S2/c1-11(2)15(25-3)16-14(23-19(27-16)18-21-8-9-26-18)17(24)22-10-12-4-6-13(20)7-5-12/h4-9,11,15H,10H2,1-3H3,(H,22,24)
InChIKeyFIHUJKLSIIGIAF-UHFFFAOYSA-N
MW405.52 g/mol
LogP4.68
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 53464402) has the molecular formula C19H20FN3O2S2 and a molecular weight of 405.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID53464402
Molecular FormulaC19H20FN3O2S2
Molecular Weight405.52 g/mol
Exact Mass405.10
IUPAC NameN-[(4-fluorophenyl)methyl]-5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESCOC(c1sc(-c2nccs2)nc1C(=O)NCc1ccc(F)cc1)C(C)C
InChIInChI=1S/C19H20FN3O2S2/c1-11(2)15(25-3)16-14(23-19(27-16)18-21-8-9-26-18)17(24)22-10-12-4-6-13(20)7-5-12/h4-9,11,15H,10H2,1-3H3,(H,22,24)
InChIKeyFIHUJKLSIIGIAF-UHFFFAOYSA-N
XLogP4.68
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.52
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 53464402) is N-[(4-fluorophenyl)methyl]-5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is COC(c1sc(-c2nccs2)nc1C(=O)NCc1ccc(F)cc1)C(C)C.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is FIHUJKLSIIGIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S2/c1-11(2)15(25-3)16-14(23-19(27-16)18-21-8-9-26-18)17(24)22-10-12-4-6-13(20)7-5-12/h4-9,11,15H,10H2,1-3H3,(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 405.52 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-(1-methoxy-2-methylpropyl)-2-(1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 53464402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).