2-fluoro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide

C23H25FN2O2S — CID 46009267

IUPAC2-fluoro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3F)cs2)cc1
InChIInChI=1S/C23H25FN2O2S/c1-16(2)12-26(23(27)20-6-4-5-7-21(20)24)13-18-15-29-22(25-18)14-28-19-10-8-17(3)9-11-19/h4-11,15-16H,12-14H2,1-3H3
InChIKeyQJFYGYPBECTLQO-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.47
Rot. Bonds8

About 2-fluoro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide

2-fluoro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide (PubChem CID 46009267) has the molecular formula C23H25FN2O2S and a molecular weight of 412.53 g/mol. Its IUPAC name is 2-fluoro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
PubChem CID46009267
Molecular FormulaC23H25FN2O2S
Molecular Weight412.53 g/mol
Exact Mass412.16
IUPAC Name2-fluoro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
SMILESCc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3F)cs2)cc1
InChIInChI=1S/C23H25FN2O2S/c1-16(2)12-26(23(27)20-6-4-5-7-21(20)24)13-18-15-29-22(25-18)14-28-19-10-8-17(3)9-11-19/h4-11,15-16H,12-14H2,1-3H3
InChIKeyQJFYGYPBECTLQO-UHFFFAOYSA-N
XLogP5.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 2-fluoro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide (CID 46009267) is 2-fluoro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 2-fluoro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide is Cc1ccc(OCc2nc(CN(CC(C)C)C(=O)c3ccccc3F)cs2)cc1.
What is the InChIKey of 2-fluoro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is QJFYGYPBECTLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O2S/c1-16(2)12-26(23(27)20-6-4-5-7-21(20)24)13-18-15-29-22(25-18)14-28-19-10-8-17(3)9-11-19/h4-11,15-16H,12-14H2,1-3H3.
What are the key properties of 2-fluoro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide?
2-fluoro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 412.53 g/mol, XLogP of 5.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46009267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).