2-(furan-2-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1,3-thiazole-4-carboxamide

C16H15F3N4O3S — CID 49026585

IUPAC2-(furan-2-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1,3-thiazole-4-carboxamide
SMILESCn1ccnc1C(O)(CCNC(=O)c1csc(-c2ccco2)n1)C(F)(F)F
InChIInChI=1S/C16H15F3N4O3S/c1-23-7-6-21-14(23)15(25,16(17,18)19)4-5-20-12(24)10-9-27-13(22-10)11-3-2-8-26-11/h2-3,6-9,25H,4-5H2,1H3,(H,20,24)
InChIKeyKRHQQCMPDCOQRT-UHFFFAOYSA-N
MW400.38 g/mol
LogP2.71
Rot. Bonds6

About 2-(furan-2-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1,3-thiazole-4-carboxamide (PubChem CID 49026585) has the molecular formula C16H15F3N4O3S and a molecular weight of 400.38 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1,3-thiazole-4-carboxamide
PubChem CID49026585
Molecular FormulaC16H15F3N4O3S
Molecular Weight400.38 g/mol
Exact Mass400.08
IUPAC Name2-(furan-2-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1,3-thiazole-4-carboxamide
SMILESCn1ccnc1C(O)(CCNC(=O)c1csc(-c2ccco2)n1)C(F)(F)F
InChIInChI=1S/C16H15F3N4O3S/c1-23-7-6-21-14(23)15(25,16(17,18)19)4-5-20-12(24)10-9-27-13(22-10)11-3-2-8-26-11/h2-3,6-9,25H,4-5H2,1H3,(H,20,24)
InChIKeyKRHQQCMPDCOQRT-UHFFFAOYSA-N
XLogP2.71
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1,3-thiazole-4-carboxamide (CID 49026585) is 2-(furan-2-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1,3-thiazole-4-carboxamide is Cn1ccnc1C(O)(CCNC(=O)c1csc(-c2ccco2)n1)C(F)(F)F.
What is the InChIKey of 2-(furan-2-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KRHQQCMPDCOQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O3S/c1-23-7-6-21-14(23)15(25,16(17,18)19)4-5-20-12(24)10-9-27-13(22-10)11-3-2-8-26-11/h2-3,6-9,25H,4-5H2,1H3,(H,20,24).
What are the key properties of 2-(furan-2-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1,3-thiazole-4-carboxamide has a molecular weight of 400.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 49026585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).