N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide

C16H8F3N5OS2 — CID 166331851

IUPACN-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)nc2sccc12)c1ncsc1C(F)(F)F
InChIInChI=1S/C16H8F3N5OS2/c17-16(18,19)11-10(21-7-27-11)14(25)23-12-8-4-6-26-15(8)24-13(22-12)9-3-1-2-5-20-9/h1-7H,(H,22,23,24,25)
InChIKeyATXWXCLSEBVYTO-UHFFFAOYSA-N
MW407.40 g/mol
LogP4.48
Rot. Bonds3

About N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide

N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide (PubChem CID 166331851) has the molecular formula C16H8F3N5OS2 and a molecular weight of 407.40 g/mol. Its IUPAC name is N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide
PubChem CID166331851
Molecular FormulaC16H8F3N5OS2
Molecular Weight407.40 g/mol
Exact Mass407.01
IUPAC NameN-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccccn2)nc2sccc12)c1ncsc1C(F)(F)F
InChIInChI=1S/C16H8F3N5OS2/c17-16(18,19)11-10(21-7-27-11)14(25)23-12-8-4-6-26-15(8)24-13(22-12)9-3-1-2-5-20-9/h1-7H,(H,22,23,24,25)
InChIKeyATXWXCLSEBVYTO-UHFFFAOYSA-N
XLogP4.48
TPSA80.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide (CID 166331851) is N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide is O=C(Nc1nc(-c2ccccn2)nc2sccc12)c1ncsc1C(F)(F)F.
What is the InChIKey of N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is ATXWXCLSEBVYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F3N5OS2/c17-16(18,19)11-10(21-7-27-11)14(25)23-12-8-4-6-26-15(8)24-13(22-12)9-3-1-2-5-20-9/h1-7H,(H,22,23,24,25).
What are the key properties of N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide?
N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 407.40 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-yl)-5-(trifluoromethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166331851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).