4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide

C23H20F3N5O2S — CID 59489550

IUPAC4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccn(CCc3ccc(OC(F)(F)F)cc3)n2)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C23H20F3N5O2S/c1-15-20(21(32)28-14-17-3-2-10-27-13-17)34-22(29-15)19-9-12-31(30-19)11-8-16-4-6-18(7-5-16)33-23(24,25)26/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,28,32)
InChIKeyYKLLRTGAZGTGLM-UHFFFAOYSA-N
MW487.51 g/mol
LogP4.78
Rot. Bonds8

About 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide

4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 59489550) has the molecular formula C23H20F3N5O2S and a molecular weight of 487.51 g/mol. Its IUPAC name is 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
PubChem CID59489550
Molecular FormulaC23H20F3N5O2S
Molecular Weight487.51 g/mol
Exact Mass487.13
IUPAC Name4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccn(CCc3ccc(OC(F)(F)F)cc3)n2)sc1C(=O)NCc1cccnc1
InChIInChI=1S/C23H20F3N5O2S/c1-15-20(21(32)28-14-17-3-2-10-27-13-17)34-22(29-15)19-9-12-31(30-19)11-8-16-4-6-18(7-5-16)33-23(24,25)26/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,28,32)
InChIKeyYKLLRTGAZGTGLM-UHFFFAOYSA-N
XLogP4.78
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.51
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-ethylpyrazol-3-yl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 123928883
2-[1-[2-[(4-fluorobenzoyl)amino]ethyl]pyrazol-3-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 59489563
4-methyl-2-[1-[(4-methylsulfonylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24956492
4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide
CID 24956847
4-methyl-2-[1-[(4-pyrazol-1-ylphenyl)methyl]pyrazol-3-yl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24956493
4-methyl-2-[1-(2-phenylethyl)pyrazol-3-yl]-1,3-thiazole-5-carboxylic acid
CID 123346434
2-(4-chlorophenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24512542
2-[3-[2-(4-fluorophenyl)ethyl]cyclopenta-1,4-dien-1-yl]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 24952222
2-(2-fluoro-6-methoxyphenyl)-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 42534185
2-[1-[2-(4-fluorophenyl)ethyl]-5-methylpyrazol-3-yl]-N-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24951499
2-[[2,2-dimethoxyethyl-[2-(4-fluorophenyl)ethyl]carbamoyl]amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 86645287
2-[[2-[[4-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carbonyl]amino]acetyl]amino]acetic acid
CID 29139622

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide (CID 59489550) is 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccn(CCc3ccc(OC(F)(F)F)cc3)n2)sc1C(=O)NCc1cccnc1.
What is the InChIKey of 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is YKLLRTGAZGTGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2S/c1-15-20(21(32)28-14-17-3-2-10-27-13-17)34-22(29-15)19-9-12-31(30-19)11-8-16-4-6-18(7-5-16)33-23(24,25)26/h2-7,9-10,12-13H,8,11,14H2,1H3,(H,28,32).
What are the key properties of 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide?
4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 487.51 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(pyridin-3-ylmethyl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]ethyl]pyrazol-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 59489550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).