N-hydroxy-6-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide

C18H14F3N3O2S2 — CID 87208797

IUPACN-hydroxy-6-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NO)c1cc2c(s1)CN(c1ncc(-c3ccc(C(F)(F)F)cc3)s1)CC2
InChIInChI=1S/C18H14F3N3O2S2/c19-18(20,21)12-3-1-10(2-4-12)14-8-22-17(28-14)24-6-5-11-7-13(16(25)23-26)27-15(11)9-24/h1-4,7-8,26H,5-6,9H2,(H,23,25)
InChIKeyCCEXWPYWROPSMM-UHFFFAOYSA-N
MW425.46 g/mol
LogP4.57
Rot. Bonds3

About N-hydroxy-6-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide

N-hydroxy-6-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 87208797) has the molecular formula C18H14F3N3O2S2 and a molecular weight of 425.46 g/mol. Its IUPAC name is N-hydroxy-6-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
PubChem CID87208797
Molecular FormulaC18H14F3N3O2S2
Molecular Weight425.46 g/mol
Exact Mass425.05
IUPAC NameN-hydroxy-6-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide
SMILESO=C(NO)c1cc2c(s1)CN(c1ncc(-c3ccc(C(F)(F)F)cc3)s1)CC2
InChIInChI=1S/C18H14F3N3O2S2/c19-18(20,21)12-3-1-10(2-4-12)14-8-22-17(28-14)24-6-5-11-7-13(16(25)23-26)27-15(11)9-24/h1-4,7-8,26H,5-6,9H2,(H,23,25)
InChIKeyCCEXWPYWROPSMM-UHFFFAOYSA-N
XLogP4.57
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-hydroxy-6-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide (CID 87208797) is N-hydroxy-6-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-hydroxy-6-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-hydroxy-6-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is O=C(NO)c1cc2c(s1)CN(c1ncc(-c3ccc(C(F)(F)F)cc3)s1)CC2.
What is the InChIKey of N-hydroxy-6-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is CCEXWPYWROPSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2S2/c19-18(20,21)12-3-1-10(2-4-12)14-8-22-17(28-14)24-6-5-11-7-13(16(25)23-26)27-15(11)9-24/h1-4,7-8,26H,5-6,9H2,(H,23,25).
What are the key properties of N-hydroxy-6-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide?
N-hydroxy-6-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 4.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[5-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 87208797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).