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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Related Compounds

[(2S)-2-[2-(4-fluorophenoxy)ethyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 122184039
N-ethyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
CID 11960929
BuChE-IN-1
CID 156772174
2-Fluoro-N-(2-methoxy-ethyl)-N-[4-(4-methoxy-phenyl)-thiazol-2-yl]-benzamide
CID 3170702
4-ethoxy-N-{2-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}benzamide
CID 7207738
[2-[2-(4-Fluorophenoxy)ethyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 10113123
2-butoxy-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]benzamide
CID 23613053
(3-Isopropoxyphenyl){1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-3-piperidinyl}methanone
CID 24820095
3-Methoxy-N-({2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-YL}methyl)-N-(2-methylpropyl)benzamide
CID 46009273
N,N-diethyl-3-[2-[hydroxy-(4-methoxyphenyl)methyl]-1,3-thiazol-4-yl]benzamide
CID 49791135
[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 122184040
3-chloro-N-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-N-(2-methylpropyl)benzamide
CID 168278999

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).