[3-amino-6-(4-amino-3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate

C16H23N5O3S — CID 69132162

IUPAC[3-amino-6-(4-amino-3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate
SMILESCCCc1cc(N2CCC(N)C(O)C2)nc2sc(OC(N)=O)c(N)c12
InChIInChI=1S/C16H23N5O3S/c1-2-3-8-6-11(21-5-4-9(17)10(22)7-21)20-14-12(8)13(18)15(25-14)24-16(19)23/h6,9-10,22H,2-5,7,17-18H2,1H3,(H2,19,23)
InChIKeyMZVFPZGXQCDFIF-UHFFFAOYSA-N
MW365.46 g/mol
LogP1.19
Rot. Bonds4

About [3-amino-6-(4-amino-3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate

[3-amino-6-(4-amino-3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate (PubChem CID 69132162) has the molecular formula C16H23N5O3S and a molecular weight of 365.46 g/mol. Its IUPAC name is [3-amino-6-(4-amino-3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate.

Molecular Properties

Compound Name[3-amino-6-(4-amino-3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate
PubChem CID69132162
Molecular FormulaC16H23N5O3S
Molecular Weight365.46 g/mol
Exact Mass365.15
IUPAC Name[3-amino-6-(4-amino-3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate
SMILESCCCc1cc(N2CCC(N)C(O)C2)nc2sc(OC(N)=O)c(N)c12
InChIInChI=1S/C16H23N5O3S/c1-2-3-8-6-11(21-5-4-9(17)10(22)7-21)20-14-12(8)13(18)15(25-14)24-16(19)23/h6,9-10,22H,2-5,7,17-18H2,1H3,(H2,19,23)
InChIKeyMZVFPZGXQCDFIF-UHFFFAOYSA-N
XLogP1.19
TPSA140.72 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 51.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(4-amino-3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate?
The IUPAC name of [3-amino-6-(4-amino-3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate (CID 69132162) is [3-amino-6-(4-amino-3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate.
What is the SMILES notation for [3-amino-6-(4-amino-3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate?
The canonical SMILES for [3-amino-6-(4-amino-3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate is CCCc1cc(N2CCC(N)C(O)C2)nc2sc(OC(N)=O)c(N)c12.
What is the InChIKey of [3-amino-6-(4-amino-3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate?
The InChIKey is MZVFPZGXQCDFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3S/c1-2-3-8-6-11(21-5-4-9(17)10(22)7-21)20-14-12(8)13(18)15(25-14)24-16(19)23/h6,9-10,22H,2-5,7,17-18H2,1H3,(H2,19,23).
What are the key properties of [3-amino-6-(4-amino-3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate?
[3-amino-6-(4-amino-3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate has a molecular weight of 365.46 g/mol, XLogP of 1.19, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(4-amino-3-hydroxypiperidin-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate is sourced from PubChem (CID 69132162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).