[3-amino-6-(4-aminopiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate

C14H16F3N5O2S — CID 69131432

IUPAC[3-amino-6-(4-aminopiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
SMILESNC(=O)Oc1sc2nc(N3CCC(N)CC3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C14H16F3N5O2S/c15-14(16,17)7-5-8(22-3-1-6(18)2-4-22)21-11-9(7)10(19)12(25-11)24-13(20)23/h5-6H,1-4,18-19H2,(H2,20,23)
InChIKeyQKPIKMGWNXKZNE-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.28
Rot. Bonds2

About [3-amino-6-(4-aminopiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate

[3-amino-6-(4-aminopiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate (PubChem CID 69131432) has the molecular formula C14H16F3N5O2S and a molecular weight of 375.38 g/mol. Its IUPAC name is [3-amino-6-(4-aminopiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate.

Molecular Properties

Compound Name[3-amino-6-(4-aminopiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
PubChem CID69131432
Molecular FormulaC14H16F3N5O2S
Molecular Weight375.38 g/mol
Exact Mass375.10
IUPAC Name[3-amino-6-(4-aminopiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
SMILESNC(=O)Oc1sc2nc(N3CCC(N)CC3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C14H16F3N5O2S/c15-14(16,17)7-5-8(22-3-1-6(18)2-4-22)21-11-9(7)10(19)12(25-11)24-13(20)23/h5-6H,1-4,18-19H2,(H2,20,23)
InChIKeyQKPIKMGWNXKZNE-UHFFFAOYSA-N
XLogP2.28
TPSA120.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [3-amino-6-(4-aminopiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-Amino-6-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 69131660
[3-Amino-6-(4-aminopiperidin-1-yl)-4-(2,5-difluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 69131992
[3-Amino-6-(4-aminopiperidin-1-yl)-4-(4-cyano-3-fluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 69132118
[3-Amino-6-piperazin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 69132493
[3-Amino-4-(4-cyano-3-fluorophenyl)-6-(4-hydroxypiperidin-1-yl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 69132545
[3-Amino-6-(4-aminopiperidin-1-yl)-4-(2,4-difluorophenyl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 69132593
[5-Amino-2-(2,6-difluorophenyl)-4-methylthieno[2,3-d]pyrimidin-6-yl] carbamate
CID 69575482
[5-Amino-4-(6-methyl-2-pyridinyl)-2-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate
CID 68632118
[3,6-diamino-5-cyano-4-(2H-[1,2,5]thiadiazolo[2,3-a]pyridin-5-yl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 68730976
[3-amino-6-(4-aminopiperidin-1-yl)-4-[(E)-2-(4-methylphenyl)ethenyl]thieno[2,3-b]pyridin-2-yl] carbamate
CID 69131431
[3-Amino-6-(4-aminoazepan-1-yl)-4-propylthieno[2,3-b]pyridin-2-yl] carbamate
CID 69131634
[3-Amino-6-[4-(anilinocarbamoyl)piperazin-1-yl]-4-propylthieno[2,3-b]pyridin-2-yl] carbamate
CID 69131671

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-(4-aminopiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate?
The IUPAC name of [3-amino-6-(4-aminopiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate (CID 69131432) is [3-amino-6-(4-aminopiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate.
What is the SMILES notation for [3-amino-6-(4-aminopiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate?
The canonical SMILES for [3-amino-6-(4-aminopiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate is NC(=O)Oc1sc2nc(N3CCC(N)CC3)cc(C(F)(F)F)c2c1N.
What is the InChIKey of [3-amino-6-(4-aminopiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate?
The InChIKey is QKPIKMGWNXKZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2S/c15-14(16,17)7-5-8(22-3-1-6(18)2-4-22)21-11-9(7)10(19)12(25-11)24-13(20)23/h5-6H,1-4,18-19H2,(H2,20,23).
What are the key properties of [3-amino-6-(4-aminopiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate?
[3-amino-6-(4-aminopiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate has a molecular weight of 375.38 g/mol, XLogP of 2.28, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(4-aminopiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate is sourced from PubChem (CID 69131432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).