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

C17H10F3N3OS3 — CID 2488718

IUPAC3-methyl-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2nccs2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C17H10F3N3OS3/c1-8-12-9(17(18,19)20)7-10(11-3-2-5-25-11)22-15(12)27-13(8)14(24)23-16-21-4-6-26-16/h2-7H,1H3,(H,21,23,24)
InChIKeyQLWSKXWZAOJUAP-UHFFFAOYSA-N
MW425.48 g/mol
LogP6.06
Rot. Bonds3

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

3-methyl-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 2488718) has the molecular formula C17H10F3N3OS3 and a molecular weight of 425.48 g/mol. Its IUPAC name is 3-methyl-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID2488718
Molecular FormulaC17H10F3N3OS3
Molecular Weight425.48 g/mol
Exact Mass424.99
IUPAC Name3-methyl-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1c(C(=O)Nc2nccs2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12
InChIInChI=1S/C17H10F3N3OS3/c1-8-12-9(17(18,19)20)7-10(11-3-2-5-25-11)22-15(12)27-13(8)14(24)23-16-21-4-6-26-16/h2-7H,1H3,(H,21,23,24)
InChIKeyQLWSKXWZAOJUAP-UHFFFAOYSA-N
XLogP6.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.48
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-methyl-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 2488718) is 3-methyl-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-methyl-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-methyl-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1c(C(=O)Nc2nccs2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12.
What is the InChIKey of 3-methyl-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is QLWSKXWZAOJUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3N3OS3/c1-8-12-9(17(18,19)20)7-10(11-3-2-5-25-11)22-15(12)27-13(8)14(24)23-16-21-4-6-26-16/h2-7H,1H3,(H,21,23,24).
What are the key properties of 3-methyl-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-methyl-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 425.48 g/mol, XLogP of 6.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,3-thiazol-2-yl)-6-thiophen-2-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 2488718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).