3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide

C9H6F3N5OS — CID 118278852

IUPAC3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1csnc1Nc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C9H6F3N5OS/c10-9(11,12)5-1-15-6(2-14-5)16-8-4(7(13)18)3-19-17-8/h1-3H,(H2,13,18)(H,15,16,17)
InChIKeyJRFLDDAIFKQWAP-UHFFFAOYSA-N
MW289.24 g/mol
LogP1.79
Rot. Bonds3

About 3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide

3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide (PubChem CID 118278852) has the molecular formula C9H6F3N5OS and a molecular weight of 289.24 g/mol. Its IUPAC name is 3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
PubChem CID118278852
Molecular FormulaC9H6F3N5OS
Molecular Weight289.24 g/mol
Exact Mass289.02
IUPAC Name3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide
SMILESNC(=O)c1csnc1Nc1cnc(C(F)(F)F)cn1
InChIInChI=1S/C9H6F3N5OS/c10-9(11,12)5-1-15-6(2-14-5)16-8-4(7(13)18)3-19-17-8/h1-3H,(H2,13,18)(H,15,16,17)
InChIKeyJRFLDDAIFKQWAP-UHFFFAOYSA-N
XLogP1.79
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide (CID 118278852) is 3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide is NC(=O)c1csnc1Nc1cnc(C(F)(F)F)cn1.
What is the InChIKey of 3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?
The InChIKey is JRFLDDAIFKQWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N5OS/c10-9(11,12)5-1-15-6(2-14-5)16-8-4(7(13)18)3-19-17-8/h1-3H,(H2,13,18)(H,15,16,17).
What are the key properties of 3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide?
3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide has a molecular weight of 289.24 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 118278852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).