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

C14H15F3N4O3S — CID 69131660

IUPAC[3-amino-6-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
SMILESNC(=O)Oc1sc2nc(N3CCC(O)CC3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C14H15F3N4O3S/c15-14(16,17)7-5-8(21-3-1-6(22)2-4-21)20-11-9(7)10(18)12(25-11)24-13(19)23/h5-6,22H,1-4,18H2,(H2,19,23)
InChIKeyPMJRANINLYNXDM-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.32
Rot. Bonds2

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

[3-amino-6-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate (PubChem CID 69131660) has the molecular formula C14H15F3N4O3S and a molecular weight of 376.36 g/mol. Its IUPAC name is [3-amino-6-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate.

Molecular Properties

Compound Name[3-amino-6-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
PubChem CID69131660
Molecular FormulaC14H15F3N4O3S
Molecular Weight376.36 g/mol
Exact Mass376.08
IUPAC Name[3-amino-6-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
SMILESNC(=O)Oc1sc2nc(N3CCC(O)CC3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C14H15F3N4O3S/c15-14(16,17)7-5-8(21-3-1-6(22)2-4-21)20-11-9(7)10(18)12(25-11)24-13(19)23/h5-6,22H,1-4,18H2,(H2,19,23)
InChIKeyPMJRANINLYNXDM-UHFFFAOYSA-N
XLogP2.32
TPSA114.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.32
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-hydroxypiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate?
The IUPAC name of [3-amino-6-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate (CID 69131660) is [3-amino-6-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate.
What is the SMILES notation for [3-amino-6-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate?
The canonical SMILES for [3-amino-6-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate is NC(=O)Oc1sc2nc(N3CCC(O)CC3)cc(C(F)(F)F)c2c1N.
What is the InChIKey of [3-amino-6-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate?
The InChIKey is PMJRANINLYNXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O3S/c15-14(16,17)7-5-8(21-3-1-6(22)2-4-21)20-11-9(7)10(18)12(25-11)24-13(19)23/h5-6,22H,1-4,18H2,(H2,19,23).
What are the key properties of [3-amino-6-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate?
[3-amino-6-(4-hydroxypiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate has a molecular weight of 376.36 g/mol, XLogP of 2.32, 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-hydroxypiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate is sourced from PubChem (CID 69131660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).