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

C16H15F3N4OS2 — CID 1086443

IUPAC3-amino-6-tert-butyl-N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)(C)c1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3nccs3)sc2n1
InChIInChI=1S/C16H15F3N4OS2/c1-15(2,3)8-6-7(16(17,18)19)9-10(20)11(26-13(9)22-8)12(24)23-14-21-4-5-25-14/h4-6H,20H2,1-3H3,(H,21,23,24)
InChIKeyYFDSMPJLRZKCEO-UHFFFAOYSA-N
MW400.45 g/mol
LogP4.90
Rot. Bonds2

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

3-amino-6-tert-butyl-N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1086443) has the molecular formula C16H15F3N4OS2 and a molecular weight of 400.45 g/mol. Its IUPAC name is 3-amino-6-tert-butyl-N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-tert-butyl-N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1086443
Molecular FormulaC16H15F3N4OS2
Molecular Weight400.45 g/mol
Exact Mass400.06
IUPAC Name3-amino-6-tert-butyl-N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCC(C)(C)c1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3nccs3)sc2n1
InChIInChI=1S/C16H15F3N4OS2/c1-15(2,3)8-6-7(16(17,18)19)9-10(20)11(26-13(9)22-8)12(24)23-14-21-4-5-25-14/h4-6H,20H2,1-3H3,(H,21,23,24)
InChIKeyYFDSMPJLRZKCEO-UHFFFAOYSA-N
XLogP4.90
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-tert-butyl-N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-tert-butyl-N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1086443) is 3-amino-6-tert-butyl-N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-tert-butyl-N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-tert-butyl-N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is CC(C)(C)c1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3nccs3)sc2n1.
What is the InChIKey of 3-amino-6-tert-butyl-N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is YFDSMPJLRZKCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4OS2/c1-15(2,3)8-6-7(16(17,18)19)9-10(20)11(26-13(9)22-8)12(24)23-14-21-4-5-25-14/h4-6H,20H2,1-3H3,(H,21,23,24).
What are the key properties of 3-amino-6-tert-butyl-N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-tert-butyl-N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 400.45 g/mol, XLogP of 4.90, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-tert-butyl-N-(1,3-thiazol-2-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1086443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).