N-[5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]-1,3-thiazole-4-carboxamide

C18H13F3N4O2S — CID 90144191

IUPACN-[5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(NC(=O)c2cscn2)nc1
InChIInChI=1S/C18H13F3N4O2S/c19-18(20,21)12-3-1-11(2-4-12)7-16(26)24-13-5-6-15(22-8-13)25-17(27)14-9-28-10-23-14/h1-6,8-10H,7H2,(H,24,26)(H,22,25,27)
InChIKeyMKWXVLUGQRIKQR-UHFFFAOYSA-N
MW406.39 g/mol
LogP3.99
Rot. Bonds5

About N-[5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]-1,3-thiazole-4-carboxamide

N-[5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]-1,3-thiazole-4-carboxamide (PubChem CID 90144191) has the molecular formula C18H13F3N4O2S and a molecular weight of 406.39 g/mol. Its IUPAC name is N-[5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
PubChem CID90144191
Molecular FormulaC18H13F3N4O2S
Molecular Weight406.39 g/mol
Exact Mass406.07
IUPAC NameN-[5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
SMILESO=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(NC(=O)c2cscn2)nc1
InChIInChI=1S/C18H13F3N4O2S/c19-18(20,21)12-3-1-11(2-4-12)7-16(26)24-13-5-6-15(22-8-13)25-17(27)14-9-28-10-23-14/h1-6,8-10H,7H2,(H,24,26)(H,22,25,27)
InChIKeyMKWXVLUGQRIKQR-UHFFFAOYSA-N
XLogP3.99
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 84554131
N-(5-fluoro-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 63235854
N-(6-amino-3-pyridinyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62901879
N-[5-[1-[3,5-bis(trifluoromethyl)phenyl]ethylcarbamothioylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 6915709
N-[5-[1-[3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 141025170
N-[5-[2-[[(2E,4Z)-6-fluoro-3-(trifluoromethyl)hepta-2,4,6-trienyl]amino]-2-oxoethyl]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 90144342
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849
N-[5-[1-[4-chloro-3-(trifluoromethyl)phenyl]ethylcarbamoylamino]-2-pyridinyl]-1,3-thiazole-4-carboxamide
CID 141025171
N-(2-methoxypyrimidin-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 122301631
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
2-(1,3-thiazol-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 155969654
2-thiophen-3-yl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7962160

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]-1,3-thiazole-4-carboxamide (CID 90144191) is N-[5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]-1,3-thiazole-4-carboxamide is O=C(Cc1ccc(C(F)(F)F)cc1)Nc1ccc(NC(=O)c2cscn2)nc1.
What is the InChIKey of N-[5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MKWXVLUGQRIKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O2S/c19-18(20,21)12-3-1-11(2-4-12)7-16(26)24-13-5-6-15(22-8-13)25-17(27)14-9-28-10-23-14/h1-6,8-10H,7H2,(H,24,26)(H,22,25,27).
What are the key properties of N-[5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]-1,3-thiazole-4-carboxamide?
N-[5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]-1,3-thiazole-4-carboxamide has a molecular weight of 406.39 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-[4-(trifluoromethyl)phenyl]acetyl]amino]-2-pyridinyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90144191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).