3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide

C15H20N4O3S2 — CID 23400921

IUPAC3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCS(=O)(=O)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C15H20N4O3S2/c1-2-3-9-8-10(19-4-6-24(21,22)7-5-19)18-15-11(9)12(16)13(23-15)14(17)20/h8H,2-7,16H2,1H3,(H2,17,20)
InChIKeyTXKPMUQFIRWKLR-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.16
Rot. Bonds4

About 3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide

3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 23400921) has the molecular formula C15H20N4O3S2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID23400921
Molecular FormulaC15H20N4O3S2
Molecular Weight368.48 g/mol
Exact Mass368.10
IUPAC Name3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide
SMILESCCCc1cc(N2CCS(=O)(=O)CC2)nc2sc(C(N)=O)c(N)c12
InChIInChI=1S/C15H20N4O3S2/c1-2-3-9-8-10(19-4-6-24(21,22)7-5-19)18-15-11(9)12(16)13(23-15)14(17)20/h8H,2-7,16H2,1H3,(H2,17,20)
InChIKeyTXKPMUQFIRWKLR-UHFFFAOYSA-N
XLogP1.16
TPSA119.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide (CID 23400921) is 3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide is CCCc1cc(N2CCS(=O)(=O)CC2)nc2sc(C(N)=O)c(N)c12.
What is the InChIKey of 3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is TXKPMUQFIRWKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S2/c1-2-3-9-8-10(19-4-6-24(21,22)7-5-19)18-15-11(9)12(16)13(23-15)14(17)20/h8H,2-7,16H2,1H3,(H2,17,20).
What are the key properties of 3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1,1-dioxo-1,4-thiazinan-4-yl)-4-propylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 23400921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).