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

C17H25N5O2S — CID 69131634

IUPAC[3-amino-6-(4-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate
SMILESCCCc1cc(N2CCCC(N)CC2)nc2sc(OC(N)=O)c(N)c12
InChIInChI=1S/C17H25N5O2S/c1-2-4-10-9-12(22-7-3-5-11(18)6-8-22)21-15-13(10)14(19)16(25-15)24-17(20)23/h9,11H,2-8,18-19H2,1H3,(H2,20,23)
InChIKeyCDIDRDSPTOYKNO-UHFFFAOYSA-N
MW363.49 g/mol
LogP2.61
Rot. Bonds4

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

[3-amino-6-(4-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate (PubChem CID 69131634) has the molecular formula C17H25N5O2S and a molecular weight of 363.49 g/mol. Its IUPAC name is [3-amino-6-(4-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate.

Molecular Properties

Compound Name[3-amino-6-(4-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate
PubChem CID69131634
Molecular FormulaC17H25N5O2S
Molecular Weight363.49 g/mol
Exact Mass363.17
IUPAC Name[3-amino-6-(4-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate
SMILESCCCc1cc(N2CCCC(N)CC2)nc2sc(OC(N)=O)c(N)c12
InChIInChI=1S/C17H25N5O2S/c1-2-4-10-9-12(22-7-3-5-11(18)6-8-22)21-15-13(10)14(19)16(25-15)24-17(20)23/h9,11H,2-8,18-19H2,1H3,(H2,20,23)
InChIKeyCDIDRDSPTOYKNO-UHFFFAOYSA-N
XLogP2.61
TPSA120.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(4-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate?
The IUPAC name of [3-amino-6-(4-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate (CID 69131634) is [3-amino-6-(4-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate.
What is the SMILES notation for [3-amino-6-(4-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate?
The canonical SMILES for [3-amino-6-(4-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate is CCCc1cc(N2CCCC(N)CC2)nc2sc(OC(N)=O)c(N)c12.
What is the InChIKey of [3-amino-6-(4-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate?
The InChIKey is CDIDRDSPTOYKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2S/c1-2-4-10-9-12(22-7-3-5-11(18)6-8-22)21-15-13(10)14(19)16(25-15)24-17(20)23/h9,11H,2-8,18-19H2,1H3,(H2,20,23).
What are the key properties of [3-amino-6-(4-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate?
[3-amino-6-(4-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate has a molecular weight of 363.49 g/mol, XLogP of 2.61, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(4-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate is sourced from PubChem (CID 69131634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).