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

C13H14F3N5O2S — CID 69132493

IUPAC[3-amino-6-piperazin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
SMILESNC(=O)Oc1sc2nc(N3CCNCC3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C13H14F3N5O2S/c14-13(15,16)6-5-7(21-3-1-19-2-4-21)20-10-8(6)9(17)11(24-10)23-12(18)22/h5,19H,1-4,17H2,(H2,18,22)
InChIKeyGVTYKSOQPIKDAY-UHFFFAOYSA-N
MW361.35 g/mol
LogP1.76
Rot. Bonds2

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

[3-amino-6-piperazin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate (PubChem CID 69132493) has the molecular formula C13H14F3N5O2S and a molecular weight of 361.35 g/mol. Its IUPAC name is [3-amino-6-piperazin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate.

Molecular Properties

Compound Name[3-amino-6-piperazin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
PubChem CID69132493
Molecular FormulaC13H14F3N5O2S
Molecular Weight361.35 g/mol
Exact Mass361.08
IUPAC Name[3-amino-6-piperazin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
SMILESNC(=O)Oc1sc2nc(N3CCNCC3)cc(C(F)(F)F)c2c1N
InChIInChI=1S/C13H14F3N5O2S/c14-13(15,16)6-5-7(21-3-1-19-2-4-21)20-10-8(6)9(17)11(24-10)23-12(18)22/h5,19H,1-4,17H2,(H2,18,22)
InChIKeyGVTYKSOQPIKDAY-UHFFFAOYSA-N
XLogP1.76
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[3-Amino-6-(4-aminopiperidin-1-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 69131432
[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-(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
N-[4-(difluoromethoxy)phenyl]-5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2101783
[4-(Difluoromethoxy)phenyl][5,6-dimethyl-2-(piperidylmethyl)thiopheno[3,2-e]py rimidin-4-yl]amine
CID 2101784
N-[4-(difluoromethoxy)phenyl]-5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2421530
N-[4-(difluoromethoxy)phenyl]-5,6-dimethyl-2-(morpholin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 2421531
[5-Amino-2-(2-cyanoethylamino)-4-(6-methyl-2-pyridinyl)thieno[2,3-d]pyrimidin-6-yl] carbamate
CID 68631286
[5-Amino-4-(6-methyl-2-pyridinyl)-2-(prop-2-enylamino)thieno[2,3-d]pyrimidin-6-yl] carbamate
CID 68632118

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-piperazin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate?
The IUPAC name of [3-amino-6-piperazin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate (CID 69132493) is [3-amino-6-piperazin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate.
What is the SMILES notation for [3-amino-6-piperazin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate?
The canonical SMILES for [3-amino-6-piperazin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate is NC(=O)Oc1sc2nc(N3CCNCC3)cc(C(F)(F)F)c2c1N.
What is the InChIKey of [3-amino-6-piperazin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate?
The InChIKey is GVTYKSOQPIKDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O2S/c14-13(15,16)6-5-7(21-3-1-19-2-4-21)20-10-8(6)9(17)11(24-10)23-12(18)22/h5,19H,1-4,17H2,(H2,18,22).
What are the key properties of [3-amino-6-piperazin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate?
[3-amino-6-piperazin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate has a molecular weight of 361.35 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-piperazin-1-yl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate is sourced from PubChem (CID 69132493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).