N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide

C17H12F3N3OS — CID 122162286

IUPACN-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1nccnc1-c1ccsc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)13-4-2-1-3-12(13)16(24)23-9-14-15(22-7-6-21-14)11-5-8-25-10-11/h1-8,10H,9H2,(H,23,24)
InChIKeyCIHAIUZLVPOPBX-UHFFFAOYSA-N
MW363.36 g/mol
LogP4.15
Rot. Bonds4

About N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide

N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide (PubChem CID 122162286) has the molecular formula C17H12F3N3OS and a molecular weight of 363.36 g/mol. Its IUPAC name is N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide
PubChem CID122162286
Molecular FormulaC17H12F3N3OS
Molecular Weight363.36 g/mol
Exact Mass363.07
IUPAC NameN-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide
SMILESO=C(NCc1nccnc1-c1ccsc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H12F3N3OS/c18-17(19,20)13-4-2-1-3-12(13)16(24)23-9-14-15(22-7-6-21-14)11-5-8-25-10-11/h1-8,10H,9H2,(H,23,24)
InChIKeyCIHAIUZLVPOPBX-UHFFFAOYSA-N
XLogP4.15
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(cyclohexylamino)-oxomethyl]cyclohexyl]-N-(thiophen-2-ylmethyl)-2-pyridinecarboxamide
CID 5236771
Benzo[b]thiophen-3-yl(4-fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)methanone
CID 42606339
2,6-difluoro-N-(2-(2-(pyridin-3-yl)thiazol-4-yl)ethyl)benzamide
CID 7119150
5-Ethyl-N-(2-pyridinylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 24819750
N-[1-[(3-fluoroanilino)carbonyl]-2-(3-pyridinyl)vinyl]-2-thiophenecarboxamide
CID 5370237
N-{2-[2-(pyridin-3-yl)-1,3-thiazol-4-yl]ethyl}benzamide
CID 7119148
5-(5-((benzylamino)methyl)pyridin-2-yl)-N-hydroxythiophene-2-carboxamide
CID 11617038
(4-Fluoro-4-{[(5-methyl-pyridin-2-ylmethyl)-amino]-methyl}-piperidin-1-yl)-thiophen-2-yl-methanone
CID 25265257
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(3-methylthiophen-2-yl)methanone
CID 42606103
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(4-methylthiophen-2-yl)methanone
CID 42606104
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(5-methylthiophen-2-yl)methanone
CID 42606105
(4-Fluoro-4-(((5-methylpyridin-2-yl)methylamino)methyl)piperidin-1-yl)(5-(methylthio)thiophen-2-yl)methanone
CID 42606106

Frequently Asked Questions

What is the IUPAC name of N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide (CID 122162286) is N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide is O=C(NCc1nccnc1-c1ccsc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide?
The InChIKey is CIHAIUZLVPOPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3OS/c18-17(19,20)13-4-2-1-3-12(13)16(24)23-9-14-15(22-7-6-21-14)11-5-8-25-10-11/h1-8,10H,9H2,(H,23,24).
What are the key properties of N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide?
N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide has a molecular weight of 363.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-thiophen-3-ylpyrazin-2-yl)methyl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 122162286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).