3-amino-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

C16H9F3N4OS3 — CID 2252798

IUPAC3-amino-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2nccs2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C16H9F3N4OS3/c17-16(18,19)7-6-8(9-2-1-4-25-9)22-14-10(7)11(20)12(27-14)13(24)23-15-21-3-5-26-15/h1-6H,20H2,(H,21,23,24)
InChIKeySZZIPXGWHNHVMG-UHFFFAOYSA-N
MW426.47 g/mol
LogP5.33
Rot. Bonds3

About 3-amino-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 2252798) has the molecular formula C16H9F3N4OS3 and a molecular weight of 426.47 g/mol. Its IUPAC name is 3-amino-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID2252798
Molecular FormulaC16H9F3N4OS3
Molecular Weight426.47 g/mol
Exact Mass425.99
IUPAC Name3-amino-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESNc1c(C(=O)Nc2nccs2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C16H9F3N4OS3/c17-16(18,19)7-6-8(9-2-1-4-25-9)22-14-10(7)11(20)12(27-14)13(24)23-15-21-3-5-26-15/h1-6H,20H2,(H,21,23,24)
InChIKeySZZIPXGWHNHVMG-UHFFFAOYSA-N
XLogP5.33
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.47
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 2252798) is 3-amino-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Nc1c(C(=O)Nc2nccs2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12.
What is the InChIKey of 3-amino-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is SZZIPXGWHNHVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4OS3/c17-16(18,19)7-6-8(9-2-1-4-25-9)22-14-10(7)11(20)12(27-14)13(24)23-15-21-3-5-26-15/h1-6H,20H2,(H,21,23,24).
What are the key properties of 3-amino-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 5.33, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 2252798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).