N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]furan-2-carboxamide

C14H7F3N2O3S2 — CID 4197372

IUPACN-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)c(C(=O)C(F)(F)F)s1)c1ccco1
InChIInChI=1S/C14H7F3N2O3S2/c15-14(16,17)11(20)10-9(8-4-2-6-23-8)18-13(24-10)19-12(21)7-3-1-5-22-7/h1-6H,(H,18,19,21)
InChIKeyKHVKQZSLVQUNEX-UHFFFAOYSA-N
MW372.35 g/mol
LogP4.46
Rot. Bonds4

About N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 4197372) has the molecular formula C14H7F3N2O3S2 and a molecular weight of 372.35 g/mol. Its IUPAC name is N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID4197372
Molecular FormulaC14H7F3N2O3S2
Molecular Weight372.35 g/mol
Exact Mass371.99
IUPAC NameN-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(Nc1nc(-c2cccs2)c(C(=O)C(F)(F)F)s1)c1ccco1
InChIInChI=1S/C14H7F3N2O3S2/c15-14(16,17)11(20)10-9(8-4-2-6-23-8)18-13(24-10)19-12(21)7-3-1-5-22-7/h1-6H,(H,18,19,21)
InChIKeyKHVKQZSLVQUNEX-UHFFFAOYSA-N
XLogP4.46
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]furan-2-carboxamide (CID 4197372) is N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(Nc1nc(-c2cccs2)c(C(=O)C(F)(F)F)s1)c1ccco1.
What is the InChIKey of N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is KHVKQZSLVQUNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7F3N2O3S2/c15-14(16,17)11(20)10-9(8-4-2-6-23-8)18-13(24-10)19-12(21)7-3-1-5-22-7/h1-6H,(H,18,19,21).
What are the key properties of N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 372.35 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-thiophen-2-yl-5-(2,2,2-trifluoroacetyl)-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 4197372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).