3-fluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-2-methoxybenzamide

C26H27F2N3O3S — CID 71715448

IUPAC3-fluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1c(F)cccc1C(=O)NCC1CCCC(C)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1
InChIInChI=1S/C26H27F2N3O3S/c1-15-6-4-7-19(14-29-25(32)20-8-5-9-21(28)23(20)34-3)31(15)26(33)22-24(35-16(2)30-22)17-10-12-18(27)13-11-17/h5,8-13,15,19H,4,6-7,14H2,1-3H3,(H,29,32)
InChIKeyBJMYJAPKIHPIPW-UHFFFAOYSA-N
MW499.58 g/mol
LogP5.22
Rot. Bonds6

About 3-fluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-2-methoxybenzamide

3-fluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-2-methoxybenzamide (PubChem CID 71715448) has the molecular formula C26H27F2N3O3S and a molecular weight of 499.58 g/mol. Its IUPAC name is 3-fluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name3-fluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-2-methoxybenzamide
PubChem CID71715448
Molecular FormulaC26H27F2N3O3S
Molecular Weight499.58 g/mol
Exact Mass499.17
IUPAC Name3-fluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-2-methoxybenzamide
SMILESCOc1c(F)cccc1C(=O)NCC1CCCC(C)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1
InChIInChI=1S/C26H27F2N3O3S/c1-15-6-4-7-19(14-29-25(32)20-8-5-9-21(28)23(20)34-3)31(15)26(33)22-24(35-16(2)30-22)17-10-12-18(27)13-11-17/h5,8-13,15,19H,4,6-7,14H2,1-3H3,(H,29,32)
InChIKeyBJMYJAPKIHPIPW-UHFFFAOYSA-N
XLogP5.22
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.58
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
4-methyl-N-[[1-[2-methyl-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]azetidin-2-yl]methyl]-2,3-dihydro-1,4-benzoxazine-8-carboxamide
CID 24992490
2-methoxy-N-(2-{2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl}ethyl)benzamide
CID 7287525
N-{2-[2-(3-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethyl}-4-methoxybenzamide
CID 7518131
[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-methoxy-2-methyl-N-[[(2S,3R)-3-methyl-1-(2-methyl-5-phenyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]methyl]benzamide
CID 70683742
[(3R)-3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
CID 122184040
2-methoxy-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 35541451
US11660293, Example 47
CID 137526372
US11660293, Example 45
CID 137526386

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-2-methoxybenzamide?
The IUPAC name of 3-fluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-2-methoxybenzamide (CID 71715448) is 3-fluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for 3-fluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for 3-fluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-2-methoxybenzamide is COc1c(F)cccc1C(=O)NCC1CCCC(C)N1C(=O)c1nc(C)sc1-c1ccc(F)cc1.
What is the InChIKey of 3-fluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-2-methoxybenzamide?
The InChIKey is BJMYJAPKIHPIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O3S/c1-15-6-4-7-19(14-29-25(32)20-8-5-9-21(28)23(20)34-3)31(15)26(33)22-24(35-16(2)30-22)17-10-12-18(27)13-11-17/h5,8-13,15,19H,4,6-7,14H2,1-3H3,(H,29,32).
What are the key properties of 3-fluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-2-methoxybenzamide?
3-fluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-2-methoxybenzamide has a molecular weight of 499.58 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[1-[5-(4-fluorophenyl)-2-methyl-1,3-thiazole-4-carbonyl]-6-methylpiperidin-2-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 71715448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).