3-amino-N-(1-hydroxypropan-2-yl)-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

C14H19N3O2S — CID 104556910

IUPAC3-amino-N-(1-hydroxypropan-2-yl)-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)N(C)C(C)CO)sc2n1
InChIInChI=1S/C14H19N3O2S/c1-7-5-8(2)16-13-10(7)11(15)12(20-13)14(19)17(4)9(3)6-18/h5,9,18H,6,15H2,1-4H3
InChIKeyZGZYZTDEVMNSAO-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.95
Rot. Bonds3

About 3-amino-N-(1-hydroxypropan-2-yl)-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(1-hydroxypropan-2-yl)-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 104556910) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-amino-N-(1-hydroxypropan-2-yl)-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1-hydroxypropan-2-yl)-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID104556910
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-amino-N-(1-hydroxypropan-2-yl)-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)N(C)C(C)CO)sc2n1
InChIInChI=1S/C14H19N3O2S/c1-7-5-8(2)16-13-10(7)11(15)12(20-13)14(19)17(4)9(3)6-18/h5,9,18H,6,15H2,1-4H3
InChIKeyZGZYZTDEVMNSAO-UHFFFAOYSA-N
XLogP1.95
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-hydroxypropan-2-yl)-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(1-hydroxypropan-2-yl)-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide (CID 104556910) is 3-amino-N-(1-hydroxypropan-2-yl)-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1-hydroxypropan-2-yl)-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(1-hydroxypropan-2-yl)-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)N(C)C(C)CO)sc2n1.
What is the InChIKey of 3-amino-N-(1-hydroxypropan-2-yl)-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is ZGZYZTDEVMNSAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-7-5-8(2)16-13-10(7)11(15)12(20-13)14(19)17(4)9(3)6-18/h5,9,18H,6,15H2,1-4H3.
What are the key properties of 3-amino-N-(1-hydroxypropan-2-yl)-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(1-hydroxypropan-2-yl)-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 293.39 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-hydroxypropan-2-yl)-N,4,6-trimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 104556910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).