2-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

C19H16F4N2O3S — CID 112808814

IUPAC2-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccc(F)cc2)sc1C(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C19H16F4N2O3S/c1-12-17(29-16(24-12)10-28-14-6-4-13(20)5-7-14)18(26)25(11-19(21,22)23)9-15-3-2-8-27-15/h2-8H,9-11H2,1H3
InChIKeyJDOSPLQOXWVSQF-UHFFFAOYSA-N
MW428.41 g/mol
LogP4.97
Rot. Bonds7

About 2-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide

2-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (PubChem CID 112808814) has the molecular formula C19H16F4N2O3S and a molecular weight of 428.41 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
PubChem CID112808814
Molecular FormulaC19H16F4N2O3S
Molecular Weight428.41 g/mol
Exact Mass428.08
IUPAC Name2-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(COc2ccc(F)cc2)sc1C(=O)N(Cc1ccco1)CC(F)(F)F
InChIInChI=1S/C19H16F4N2O3S/c1-12-17(29-16(24-12)10-28-14-6-4-13(20)5-7-14)18(26)25(11-19(21,22)23)9-15-3-2-8-27-15/h2-8H,9-11H2,1H3
InChIKeyJDOSPLQOXWVSQF-UHFFFAOYSA-N
XLogP4.97
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 112817351
N-(furan-2-ylmethyl)-3,5-dimethyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60959380
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 30292079
5-chloro-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625918
N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54877126
(4-methoxycarbonylphenyl) 2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 16616472
2-[(4-fluorophenoxy)methyl]-N,4-dimethyl-N-pyrrolidin-3-yl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119550008
N-(4-fluorophenyl)-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 50753451
N-(3,5-difluorophenyl)-2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24626182
(2R)-2-[[2-[(4-fluorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-methylbutanoic acid
CID 119368687
5-amino-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 81311914
2-(4-benzylphenoxy)-N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60611370

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide (CID 112808814) is 2-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is Cc1nc(COc2ccc(F)cc2)sc1C(=O)N(Cc1ccco1)CC(F)(F)F.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is JDOSPLQOXWVSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N2O3S/c1-12-17(29-16(24-12)10-28-14-6-4-13(20)5-7-14)18(26)25(11-19(21,22)23)9-15-3-2-8-27-15/h2-8H,9-11H2,1H3.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide?
2-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 428.41 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-N-(furan-2-ylmethyl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 112808814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).