3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide

C13H15F2N3O2S — CID 106174323

IUPAC3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
SMILESCc1cc2sc(C(=O)NCC(F)(F)CO)c(N)c2c(C)n1
InChIInChI=1S/C13H15F2N3O2S/c1-6-3-8-9(7(2)18-6)10(16)11(21-8)12(20)17-4-13(14,15)5-19/h3,19H,4-5,16H2,1-2H3,(H,17,20)
InChIKeyPENDEUHPFWTIEI-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.85
Rot. Bonds4

About 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide

3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide (PubChem CID 106174323) has the molecular formula C13H15F2N3O2S and a molecular weight of 315.35 g/mol. Its IUPAC name is 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
PubChem CID106174323
Molecular FormulaC13H15F2N3O2S
Molecular Weight315.35 g/mol
Exact Mass315.09
IUPAC Name3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide
SMILESCc1cc2sc(C(=O)NCC(F)(F)CO)c(N)c2c(C)n1
InChIInChI=1S/C13H15F2N3O2S/c1-6-3-8-9(7(2)18-6)10(16)11(21-8)12(20)17-4-13(14,15)5-19/h3,19H,4-5,16H2,1-2H3,(H,17,20)
InChIKeyPENDEUHPFWTIEI-UHFFFAOYSA-N
XLogP1.85
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide (CID 106174323) is 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide is Cc1cc2sc(C(=O)NCC(F)(F)CO)c(N)c2c(C)n1.
What is the InChIKey of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide?
The InChIKey is PENDEUHPFWTIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2S/c1-6-3-8-9(7(2)18-6)10(16)11(21-8)12(20)17-4-13(14,15)5-19/h3,19H,4-5,16H2,1-2H3,(H,17,20).
What are the key properties of 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide?
3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,2-difluoro-3-hydroxypropyl)-4,6-dimethylthieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 106174323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).