2-(4-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

C22H21F3N4O2S — CID 46475102

IUPAC2-(4-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)cs2)cc1
InChIInChI=1S/C22H21F3N4O2S/c1-31-17-5-2-14(3-6-17)21-28-18(13-32-21)20(30)27-16-8-10-29(11-9-16)19-7-4-15(12-26-19)22(23,24)25/h2-7,12-13,16H,8-11H2,1H3,(H,27,30)
InChIKeyDIOZUUFMOLSTPI-UHFFFAOYSA-N
MW462.50 g/mol
LogP4.63
Rot. Bonds5

About 2-(4-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide

2-(4-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (PubChem CID 46475102) has the molecular formula C22H21F3N4O2S and a molecular weight of 462.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
PubChem CID46475102
Molecular FormulaC22H21F3N4O2S
Molecular Weight462.50 g/mol
Exact Mass462.13
IUPAC Name2-(4-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
SMILESCOc1ccc(-c2nc(C(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)cs2)cc1
InChIInChI=1S/C22H21F3N4O2S/c1-31-17-5-2-14(3-6-17)21-28-18(13-32-21)20(30)27-16-8-10-29(11-9-16)19-7-4-15(12-26-19)22(23,24)25/h2-7,12-13,16H,8-11H2,1H3,(H,27,30)
InChIKeyDIOZUUFMOLSTPI-UHFFFAOYSA-N
XLogP4.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-N-[2-pyridin-2-yl-6-(1,3-thiazol-2-yl)pyrimidin-4-yl]acetamide
CID 44454941
4-methoxy-N-[4-(2-pyridyl)thiazol-2-yl]benzamide
CID 2660435
2-[[2-[[2-[2-(dimethylamino)ethylamino]acetyl]amino]-4-pyridinyl]methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 11307354
2-[[2-[[2-(dimethylamino)acetyl]amino]-4-pyridinyl]methylsulfanyl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 11341113
2-(4-Phenoxyphenyl)-N-[4-(1-piperazinyl)-3-pyridinyl]-4-thiazolecarboxamide
CID 25096256
2-(2,3-dihydro-1-benzofuran-5-yl)-N-(2-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 71098352
N-[4-(2,6-difluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 88901592
US20240000767, Example 145
CID 156735090
N-(4-methoxybenzyl)-1-({2-[(4-methylphenyl)amino]-1,3-thiazol-4-yl}carbonyl)piperidine-4-carboxamide
CID 1096818
N''-[2-keto-2-(p-anisylamino)ethyl]-N-(2-pyridyl)-N''-(2-thenyl)succinamide
CID 3204877
N-{4-[2-Ethyl-4-(4-methoxy-phenyl)-thiazol-5-yl]-pyridin-2-yl}-benzamide
CID 11618535
4-methoxy-N-methyl-N-[4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
CID 16660470

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide (CID 46475102) is 2-(4-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is COc1ccc(-c2nc(C(=O)NC3CCN(c4ccc(C(F)(F)F)cn4)CC3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is DIOZUUFMOLSTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2S/c1-31-17-5-2-14(3-6-17)21-28-18(13-32-21)20(30)27-16-8-10-29(11-9-16)19-7-4-15(12-26-19)22(23,24)25/h2-7,12-13,16H,8-11H2,1H3,(H,27,30).
What are the key properties of 2-(4-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide?
2-(4-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 462.50 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46475102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).