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

C17H19FN2O2S — CID 110645386

IUPACN-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide
SMILESCc1nc(CNC(=O)C2CCCO2)sc1Cc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2S/c1-11-15(9-12-4-6-13(18)7-5-12)23-16(20-11)10-19-17(21)14-3-2-8-22-14/h4-7,14H,2-3,8-10H2,1H3,(H,19,21)
InChIKeyVTEIULIAPXJXKJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.98
Rot. Bonds5

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

N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide (PubChem CID 110645386) has the molecular formula C17H19FN2O2S and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide
PubChem CID110645386
Molecular FormulaC17H19FN2O2S
Molecular Weight334.42 g/mol
Exact Mass334.12
IUPAC NameN-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide
SMILESCc1nc(CNC(=O)C2CCCO2)sc1Cc1ccc(F)cc1
InChIInChI=1S/C17H19FN2O2S/c1-11-15(9-12-4-6-13(18)7-5-12)23-16(20-11)10-19-17(21)14-3-2-8-22-14/h4-7,14H,2-3,8-10H2,1H3,(H,19,21)
InChIKeyVTEIULIAPXJXKJ-UHFFFAOYSA-N
XLogP2.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
CID 110645417
N-[(4-methyl-2-propyl-1,3-thiazol-5-yl)methyl]oxolane-2-carboxamide
CID 91795525
N-[[4-methyl-5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
CID 110645371
1-benzyl-3-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]urea
CID 110645409
N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide
CID 71795593
(2R)-N-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]oxolane-2-carboxamide
CID 97040610
(2S)-N-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-2-yl]methyl]oxolane-2-carboxamide
CID 97042286
2-fluoro-N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]benzamide
CID 110645392
(2R)-N-[5-[(4-fluorophenyl)methyl]-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 675301
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]-2-(4-methylphenoxy)acetamide
CID 110645408
2-[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]acetic acid
CID 83970111
N-[(4-ethylphenyl)methyl]oxolane-2-carboxamide
CID 110779522

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide (CID 110645386) is N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide is Cc1nc(CNC(=O)C2CCCO2)sc1Cc1ccc(F)cc1.
What is the InChIKey of N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide?
The InChIKey is VTEIULIAPXJXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O2S/c1-11-15(9-12-4-6-13(18)7-5-12)23-16(20-11)10-19-17(21)14-3-2-8-22-14/h4-7,14H,2-3,8-10H2,1H3,(H,19,21).
What are the key properties of N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide?
N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 110645386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).